Geometry & MOs

Info

ID:	414015
PubChem CID:	135086968
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	20.36
Dipole, Da:	1.9
IP(EA), eV:	-9.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxy]acetaldehyde

Drug info:

PubChemData

Smile

CC1(C(O1)CC2=CC=CC=C2C#N)C

DOS

IR

Vibrations