Geometry & MOs

Info

ID:	186323
PubChem CID:	77421223
Reduced:	FNO4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	399.184586
ΔH_f, kcal/mol:	-195.88
Dipole, Da:	1.93
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[[4-(3-fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-2-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC(=CO)C1=O)CC2=CC=C(C=C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations