Geometry & MOs

Info

ID:	405606
PubChem CID:	135074623
Reduced:	SF3O5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	323.068862
ΔH_f, kcal/mol:	-336.6
Dipole, Da:	3.16
IP(EA), eV:	-10.22(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[7-methyl-4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanimine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C(/C1=CC=CC=C1)\OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations