Geometry & MOs

Info

ID:	31749
PubChem CID:	3288106
Reduced:	N2O2C17H21 (2)
Stoich.:	A2B2C17D21 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	2.38
IP(EA), eV:	-8.12(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(dimethylamino)-N-[(4-methoxyphenyl)methylideneamino]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N(CC(C)C)CC(=O)N(CCC2=CNC3=CC=CC=C32)CC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations