Geometry & MOs

Info

ID:	419615
PubChem CID:	135108550
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	8.79
IP(EA), eV:	-8.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCS(=O)(=O)N(C)C

DOS

IR

Vibrations