Geometry & MOs

Info

ID:	327257
PubChem CID:	126689353
Reduced:	F3N4O4C23H23 (1)
Stoich.:	A3B4C4D23E23 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-260.89
Dipole, Da:	4.52
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-hydroxypropylamino)-3-nitrophenyl]-1,5-dimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CC[C@@H](C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(CO)O

DOS

IR

Vibrations