Geometry & MOs

Info

ID:	21726
PubChem CID:	589666
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	3.49
IP(EA), eV:	-9.87(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-10-one

Drug info:

PubChemData

Smile

CC12CC(=O)CC1(C3C4C3C2CC4)OC

DOS

IR

Vibrations