Geometry & MOs

Info

ID:	149300
PubChem CID:	53788972
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	2.8
IP(EA), eV:	-7.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyltricyclo[5.4.0.02,6]undecan-3-one

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=C(C=C4[C@H]3CC2)C(=O)OC)OCCOC

DOS

IR

Vibrations