Geometry & MOs

Info

ID:	198348
PubChem CID:	79090279
Reduced:	SN3O4C10H17 (1)
Stoich.:	AB3C4D10E17 (1)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	4.03
IP(EA), eV:	-8.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-4-ylpyrrol-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(N1NS(=O)(=O)N(C)CCC(=O)O)C

DOS

IR

Vibrations