Geometry & MOs

Info

ID:	45952
PubChem CID:	10519619
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	318.198365
ΔH_f, kcal/mol:	-150.12
Dipole, Da:	3.05
IP(EA), eV:	-9.35(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4R,5S)-2-(4-methoxyphenyl)-3,3-dimethyl-4-phenyltricyclo[3.3.0.02,4]octane

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]([C@H]1OC)C/C(=C/C[C@@H]3[C@H](C2=O)C(=O)CC3(C)C)/C

DOS

IR

Vibrations