Geometry & MOs

Info

ID:	215851
PubChem CID:	85085345
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	172.088815
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	2.71
IP(EA), eV:	-9.17(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one

Drug info:

PubChemData

Smile

CC1(CCC2(OC1(OO2)C)C)C

DOS

IR

Vibrations