Geometry & MOs

Info

ID:	180144
PubChem CID:	76584602
Reduced:	F2N4O7C37H44 (1)
Stoich.:	A2B4C7D37E44 (1)
Weight, g/mol:	440.234289
ΔH_f, kcal/mol:	-342.18
Dipole, Da:	7.51
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)CN(CC2=CC=CC=C2F)NC(=O)OC3COC4C3CCO4)CC5=CC=C(C=C5)C6=C(N=CC=C6)F)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations