Geometry & MOs

Info

ID:	131746
PubChem CID:	51257774
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	290.082205
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	1.7
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(4-chlorophenyl)methyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C)C

DOS

IR

Vibrations