Geometry & MOs

Info

ID:	407871
PubChem CID:	135080626
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	5.27
IP(EA), eV:	-9.29(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CCCCCCCC1N(C(=O)N1C)C

DOS

IR

Vibrations