Geometry & MOs

Info

ID:	51212
PubChem CID:	12013852
Reduced:	ClH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	420.13127
ΔH_f, kcal/mol:	74.04
Dipole, Da:	3.1
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8R)-1,5-dimethyl-3,7-bis[3-(trifluoromethyl)phenyl]tricyclo[3.3.0.02,8]octa-3,6-diene

Drug info:

PubChemData

Smile

CC12C=C([C@@H]3C1([C@@H]3C(=C2)C4=CC(=CC=C4)Cl)C)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations