Geometry & MOs

Info

ID:	48862
PubChem CID:	11528410
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	1.79
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]acetaldehyde

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=CC(=C1)O)O

DOS

IR

Vibrations