Geometry & MOs

Info

ID:	418954
PubChem CID:	135107217
Reduced:	ClNOC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	3.27
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-cyclohexylimidazol-4-yl)methyl]piperazin-1-yl]pyrazine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=C(C=CC=C3Cl)Cl)CO

DOS

IR

Vibrations