Geometry & MOs

Info

ID:	338553
PubChem CID:	127259564
Reduced:	ON2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	3.95
IP(EA), eV:	-9.32(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(6,6-dimethyl-1-phenyl-2,3,3a,5,7,7a-hexahydroindazol-4-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CCN(CC)C(C#N)OCC

DOS

IR

Vibrations