Geometry & MOs

Info

ID:	365240
PubChem CID:	127317585
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	16.56
Dipole, Da:	6.09
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxypiperidin-1-yl)-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations