Geometry & MOs

Info

ID:	330730
PubChem CID:	127248137
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	2.05
IP(EA), eV:	-9.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)CC2=CC=CC=N2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations