Geometry & MOs

Info

ID:	48856
PubChem CID:	11528404
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	2.0
IP(EA), eV:	-8.97(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4S)-3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1CCC2=C1C=CC(=C2)O

DOS

IR

Vibrations