Geometry & MOs

Info

ID:	176605
PubChem CID:	76072296
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-161.08
Dipole, Da:	4.8
IP(EA), eV:	-8.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2C(=C1)OCC3=C(C=CC(=C3F)C4CC4)F)C)C(=O)NCC(C)(CF)N

DOS

IR

Vibrations