Geometry & MOs

Info

ID:	335738
PubChem CID:	127254600
Reduced:	ON5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	307.237211
ΔH_f, kcal/mol:	33.45
Dipole, Da:	6.43
IP(EA), eV:	-8.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=N2)C)CC(=O)NCCC3=CN(C4=CC=CC=C43)C(C)C

DOS

IR

Vibrations