Geometry & MOs

Info

ID:	406294
PubChem CID:	135077133
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	347.95474
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	2.48
IP(EA), eV:	-9.0(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4,4-dibromo-3,7-dimethyltetracyclo[5.4.0.02,9.03,5]undecan-8-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC=C1C2C(CCC(=C)O2)(C)C

DOS

IR

Vibrations