Geometry & MOs

Info

ID:	203830
PubChem CID:	79876812
Reduced:	F3N4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	1.9
IP(EA), eV:	-9.33(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN)C2=C(C=CC(=N2)C(F)(F)F)C#N

DOS

IR

Vibrations