Geometry & MOs

Info

ID:	215869
PubChem CID:	85085367
Reduced:	NC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	178.172151
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	4.0
IP(EA), eV:	-10.23(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,8-trimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulene

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC#N

DOS

IR

Vibrations