Geometry & MOs

Info

ID:	140699
PubChem CID:	52741728
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	1.93
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC=C1NC(=O)CCC2=NC(=NO2)C3(CCCCCC3)NC(=O)C

DOS

IR

Vibrations