Geometry & MOs

Info

ID:	367841
PubChem CID:	127325949
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	378.220181
ΔH_f, kcal/mol:	-6.37
Dipole, Da:	5.69
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CC3=C4C=CC=CC4=NN3

DOS

IR

Vibrations