Geometry & MOs

Info

ID:	358588
PubChem CID:	127296347
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	2.59
IP(EA), eV:	-9.01(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylcyclohexyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)CC(=O)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations