Geometry & MOs

Info

ID:	125290
PubChem CID:	50918827
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	2.01
IP(EA), eV:	-9.71(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@H]([C@@H]1CCC34C2C[C@@H]5[C@H](C3)[C@]5(C4)C)C(=O)OC

DOS

IR

Vibrations