Geometry & MOs

Info

ID:	385781
PubChem CID:	134979971
Reduced:	OC7H15 (2)
Stoich.:	AB7C15 (2)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	2.6
IP(EA), eV:	-9.98(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,6S,7R)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decan-9-one

Drug info:

PubChemData

Smile

CCCCC(CC)CCC(OCC)OCC

DOS

IR

Vibrations