Geometry & MOs

Info

ID:	367548
PubChem CID:	127324916
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-130.25
Dipole, Da:	6.38
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CN3C(=O)C(NC3=O)(C)C4CC4

DOS

IR

Vibrations