Geometry & MOs

Info

ID:	129833
PubChem CID:	51074005
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-40.34
Dipole, Da:	2.54
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)C(=O)NCC2=CC=C(C=C2)N(C)C)C

DOS

IR

Vibrations