Geometry & MOs

Info

ID:	129617
PubChem CID:	51073315
Reduced:	OSN3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	18.22
Dipole, Da:	2.23
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=CC=CN2

DOS

IR

Vibrations