Geometry & MOs

Info

ID:	392712
PubChem CID:	135017717
Reduced:	NF3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	382.114042
ΔH_f, kcal/mol:	-196.53
Dipole, Da:	5.82
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC2=C(CC2=CC1(C(=O)OC)C(F)(F)F)C3=CC=CC=C3OC

DOS

IR

Vibrations