Geometry & MOs

Info

ID:	392915
PubChem CID:	135018438
Reduced:	NO2F3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	337.128963
ΔH_f, kcal/mol:	-164.94
Dipole, Da:	3.64
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-8-phenyl-3-(trifluoromethyl)-4-azabicyclo[5.2.0]nona-1,7-diene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C3CN(C(C=C3C2)(C(=O)OC)C(F)(F)F)C

DOS

IR

Vibrations