Geometry & MOs

Info

ID:	252725
PubChem CID:	103113605
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	4.13
IP(EA), eV:	-9.37(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylamino)-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCNC1CCN(C1=O)CC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations