Geometry & MOs

Info

ID:	392914
PubChem CID:	135018435
Reduced:	NO2F3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	337.128963
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	3.22
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC2=C(CC2=CC1(C(=O)OC)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations