Geometry & MOs

Info

ID:	268263
PubChem CID:	103598621
Reduced:	ClO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-12.95
Dipole, Da:	4.65
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2-(cyclopropylmethoxy)phenyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)NC(=O)C=CC2=CC=CC3=C2N=CC=C3)Cl

DOS

IR

Vibrations