Geometry & MOs

Info

ID:	344532
PubChem CID:	127268116
Reduced:	N3O3C22H37 (1)
Stoich.:	A3B3C22D37 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-163.11
Dipole, Da:	3.93
IP(EA), eV:	-8.82(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[2-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)N3CCOC4C3CCCC4

DOS

IR

Vibrations