Geometry & MOs

Info

ID:	208774
PubChem CID:	80583292
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	4.0
IP(EA), eV:	-8.67(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-cyclopropyl-N-(thiolan-2-ylmethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1=O)CC2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations