Geometry & MOs

Info

ID:

412367

PubChem CID:

135085257

Reduced:

NC7H8 (4)

Stoich.:

AB7C8 (4)

Weight, g/mol:

489.231372

ΔHf, kcal/mol:

85.29

Dipole, Da:

3.02

IP(EA), eV:

 -8.07(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

(6Z)-4-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese(3+)

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2N(C)C3CCCCC3N(C)C4=CC=CC5=C4N=C(C=C5)C)C=C1

DOS

IR

Vibrations