Geometry & MOs

Info

ID:	273312
PubChem CID:	103770887
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	3.99
IP(EA), eV:	-9.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-methyl-5-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations