Geometry & MOs

Info

ID:

439122

PubChem CID:

135228886

Reduced:

N4O5C31H38 (1)

Stoich.:

A4B5C31D38 (1)

Weight, g/mol:

474.3974

ΔHf, kcal/mol:

-177.92

Dipole, Da:

20.26

IP(EA), eV:

 -8.61(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3Z)-2-[2-methyl-4-[(2E,5Z)-4-methylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl]-5-(2,3,3-trimethylbutyl)phenyl]-N'-propylpenta-1,3-diene-1,5-diamine

Drug info:

PubChemData

Smile

CCCN(CCNC(=O)C)C1=NC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations