Geometry & MOs

Info

ID:	128955
PubChem CID:	51064208
Reduced:	N2O2C27H36 (1)
Stoich.:	A2B2C27D36 (1)
Weight, g/mol:	462.130612
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	5.72
IP(EA), eV:	-8.71(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(E)-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)N/N=C(\C)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations