Geometry & MOs

Info

ID:	220724
PubChem CID:	85230726
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-85.97
Dipole, Da:	2.19
IP(EA), eV:	-8.53(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)prop-2-enal

Drug info:

PubChemData

Smile

CC1=CC=CC2(C1CCC3(C2)OCCO3)C

DOS

IR

Vibrations