Geometry & MOs

Info

ID:	364713
PubChem CID:	127316016
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	6.17
IP(EA), eV:	-8.89(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-(3-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations