Geometry & MOs

Info

ID:	375900
PubChem CID:	134221895
Reduced:	BrClO2F3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	301.18305
ΔH_f, kcal/mol:	-221.28
Dipole, Da:	1.09
IP(EA), eV:	-9.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,8-dimethyl-4-tricyclo[4.2.0.02,8]octa-1,3,5-trienyl)-6-methyl-5-prop-2-enyl-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)C)Cl)C(F)(F)F)Br

DOS

IR

Vibrations