Geometry & MOs

Info

ID:

437595

PubChem CID:

135226642

Reduced:

NOH47C64 (1)

Stoich.:

ABC47D64 (1)

Weight, g/mol:

596.430156

ΔHf, kcal/mol:

225.74

Dipole, Da:

0.4

IP(EA), eV:

 -8.03(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[[5-[2-[[2,2-dimethyl-3-[[(Z)-(6-oxo-5-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]ethyl-methylamino]-2,2-dimethylpentyl]amino]methylidene]-2-propan-2-yloxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C(=C1)C3=C4C5=CC=CC=C5C(C4=C(C=C3)N(C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1)OC1=CC=CC=C12

DOS

IR

Vibrations