Geometry & MOs

Info

ID:	184955
PubChem CID:	77234551
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	231.11384
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	6.09
IP(EA), eV:	-9.97(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-aminocyclohexyl)amino]-1,2-dihydropyrrol-5-one;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)N1C(=O)C2C(=NC1=O)C=CC=C2CC=C

DOS

IR

Vibrations