Geometry & MOs

Info

ID:	333599
PubChem CID:	127252151
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	407.16452
ΔH_f, kcal/mol:	36.71
Dipole, Da:	3.22
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)CC2=CC3=C(C=C2)NC=C3)CC4=CC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations