Geometry & MOs

Info

ID:	364310
PubChem CID:	127315409
Reduced:	N3O3C21H37 (1)
Stoich.:	A3B3C21D37 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-164.54
Dipole, Da:	6.38
IP(EA), eV:	-8.84(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylcyclohexyl)oxyacetyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN(CC1)CC(=O)N2CCCCC2C)OC3CCCC3

DOS

IR

Vibrations