Geometry & MOs

Info

ID:	173218
PubChem CID:	75611605
Reduced:	N2O2C27H36 (1)
Stoich.:	A2B2C27D36 (1)
Weight, g/mol:	462.130612
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	6.56
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NN=C(C)C=CC2=CC=CC=C2

DOS

IR

Vibrations