Geometry & MOs

Info

ID:	349165
PubChem CID:	127274891
Reduced:	O3N7C17H27 (1)
Stoich.:	A3B7C17D27 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	5.74
IP(EA), eV:	-9.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-methylphenyl)cyclohexanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2C=NN=N2)NC(=O)C3CCCCC3

DOS

IR

Vibrations