Geometry & MOs

Info

ID:	413171
PubChem CID:	135086116
Reduced:	BaO2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-314.34
Dipole, Da:	1.8
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S,2S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)[O-].C=C(C1=CC=CC=C1)[O-].[Ba+2]

DOS

IR

Vibrations