Geometry & MOs

Info

ID:	68503
PubChem CID:	46508539
Reduced:	FON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	3.75
IP(EA), eV:	-9.01(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC(=CC=C1)F)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations