Geometry & MOs

Info

ID:	394643
PubChem CID:	135023381
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	350.22458
ΔH_f, kcal/mol:	2.1
Dipole, Da:	1.76
IP(EA), eV:	-9.9(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-4-phenylmethoxytricyclo[8.5.0.03,7]pentadeca-1(10),2-dien-9-one

Drug info:

PubChemData

Smile

CO[C@@H](CCCC=C)C#C

DOS

IR

Vibrations