Geometry & MOs

Info

ID:	392711
PubChem CID:	135017716
Reduced:	NF3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	353.123878
ΔH_f, kcal/mol:	-205.13
Dipole, Da:	3.9
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-(2-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-3-azabicyclo[4.2.0]octa-1(8),5-diene-4-carboxylate

Drug info:

PubChemData

Smile

CN1CCC2=C(CC2=CC1(C(=O)OC)C(F)(F)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations