Geometry & MOs

Info

ID:	327216
PubChem CID:	126689238
Reduced:	O2F3N4H21C25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-122.5
Dipole, Da:	7.46
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-hydroxypropylamino)-3-nitrophenyl]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)O

DOS

IR

Vibrations