Geometry & MOs

Info

ID:	364340
PubChem CID:	127315480
Reduced:	O3N6C16H26 (1)
Stoich.:	A3B6C16D26 (1)
Weight, g/mol:	350.206639
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	3.77
IP(EA), eV:	-9.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN(CC1)C(=O)CN2C=NN=N2)OC3CCCC3

DOS

IR

Vibrations