Geometry & MOs

Info

ID:	22636
PubChem CID:	598064
Reduced:	ClO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	366.159787
ΔH_f, kcal/mol:	-206.12
Dipole, Da:	3.63
IP(EA), eV:	-10.46(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-chloro-4-tricyclo[4.3.1.03,8]decanyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C2(CCC1(OC2=O)C(=O)OC3CC4CC5C3CC(C5)C4Cl)C)C

DOS

IR

Vibrations