Geometry & MOs

Info

ID:	344284
PubChem CID:	127267460
Reduced:	N3O7C15H15 (1)
Stoich.:	A3B7C15D15 (1)
Weight, g/mol:	306.174356
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	2.2
IP(EA), eV:	-9.98(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-4-(3-fluorophenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=NO2)OC)[N+](=O)[O-]

DOS

IR

Vibrations