Geometry & MOs

Info

ID:	171547
PubChem CID:	75392733
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	7.35
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-methyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=CC=C2OC)C3=CC=CC=N3

DOS

IR

Vibrations