Geometry & MOs

Info

ID:	252724
PubChem CID:	103113598
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-93.72
Dipole, Da:	4.16
IP(EA), eV:	-8.84(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1CCC(C1=O)NC

DOS

IR

Vibrations