Geometry & MOs

Info

ID:	23708
PubChem CID:	605446
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	5.93
IP(EA), eV:	-8.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyanilino)-N-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=CC=C1)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations