Geometry & MOs

Info

ID:	392509
PubChem CID:	135016994
Reduced:	NO2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	390.139113
ΔH_f, kcal/mol:	58.69
Dipole, Da:	4.82
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,4R)-4-amino-2-(benzoyloxymethyl)-3,3-difluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C(\CC2=CC=CC3=CC=CC=C32)/[N+](=O)[O-]

DOS

IR

Vibrations