Geometry & MOs

Info

ID:	257392
PubChem CID:	103145752
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	9.68
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-4-nitrophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCNC1=NC2=C(C=C1CC)C(=C(C=C2C)[N+](=O)[O-])C

DOS

IR

Vibrations