Geometry & MOs

Info

ID:	1995
PubChem CID:	5528
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	3.77
IP(EA), eV:	-9.71(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCC(C1(C)C=O)CC2=O

DOS

IR

Vibrations