Geometry & MOs

Info

ID:	330732
PubChem CID:	127248139
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	2.56
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)acetyl]-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)CC(=O)N(C)C)CC2=CC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations