Geometry & MOs

Info

ID:

438997

PubChem CID:

135228759

Reduced:

N4O4C25H28 (1)

Stoich.:

A4B4C25D28 (1)

Weight, g/mol:

455.3552

ΔHf, kcal/mol:

-94.58

Dipole, Da:

8.35

IP(EA), eV:

 -8.67(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3Z)-N-ethenyl-2-[4-[(2E,5Z)-5-ethylidene-4-methylideneocta-2,6,7-trien-2-yl]-3-(2,3,3-trimethylbutyl)phenyl]hepta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)OC)OC)C4=CN=C(N=C4)NC

DOS

IR

Vibrations