Geometry & MOs

Info

ID:	186322
PubChem CID:	77421222
Reduced:	FN2O3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	397.168936
ΔH_f, kcal/mol:	-146.9
Dipole, Da:	5.98
IP(EA), eV:	-8.58(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations