Geometry & MOs

Info

ID:	358602
PubChem CID:	127296361
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	4.21
IP(EA), eV:	-9.45(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCC(CC2)(C)C

DOS

IR

Vibrations