Geometry & MOs

Info

ID:	371684
PubChem CID:	131270473
Reduced:	N3O3C9H13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	213.060135
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	4.42
IP(EA), eV:	-9.76(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(3,4-difluoro-2-hydroxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)[C@](C)(CO)N)[N+](=O)[O-]

DOS

IR

Vibrations