Geometry & MOs

Info

ID:	30386
PubChem CID:	841238
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	5.7
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyanilino)-1-pyridin-3-ylpent-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations