Geometry & MOs

Info

ID:	21362
PubChem CID:	588020
Reduced:	ClO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	314.128487
ΔH_f, kcal/mol:	-212.2
Dipole, Da:	5.29
IP(EA), eV:	-9.95(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-10,10-dimethyl-8-oxo-1-tricyclo[5.4.0.02,6]undecanyl) ethyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)OC12CC(CC(=O)C1C3(C2CCC3)Cl)(C)C

DOS

IR

Vibrations