Geometry & MOs

Info

ID:	364798
PubChem CID:	127316139
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	332.257612
ΔH_f, kcal/mol:	8.38
Dipole, Da:	2.92
IP(EA), eV:	-8.67(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)CC3=NC=CN3)CC4=CC=CC=C4

DOS

IR

Vibrations