Geometry & MOs

Info

ID:	273316
PubChem CID:	103770892
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	1.77
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-methyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CSC2=CC=CC=C21)O

DOS

IR

Vibrations