Geometry & MOs

Info

ID:	351681
PubChem CID:	127280768
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	321.227709
ΔH_f, kcal/mol:	-33.39
Dipole, Da:	9.46
IP(EA), eV:	-8.6(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[(1-methyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CN2CCN(CC2)CC(=O)NC3CCCCC3)C

DOS

IR

Vibrations