Geometry & MOs

Info

ID:	172827
PubChem CID:	75558950
Reduced:	ClOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	36.95
Dipole, Da:	4.11
IP(EA), eV:	-8.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations