Geometry & MOs

Info

ID:	433943
PubChem CID:	135174090
Reduced:	ClO2N8H37C39 (1)
Stoich.:	AB2C8D37E39 (1)
Weight, g/mol:	133.089149
ΔH_f, kcal/mol:	74.92
Dipole, Da:	5.89
IP(EA), eV:	-8.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z)-buta-1,3-dienyl]penta-1,4-dien-3-imine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CC(C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)Cl

DOS

IR

Vibrations