Geometry & MOs

Info

ID:	67175
PubChem CID:	46506007
Reduced:	N2F3O3H11C19 (1)
Stoich.:	A2B3C3D11E19 (1)
Weight, g/mol:	360.111007
ΔH_f, kcal/mol:	-199.63
Dipole, Da:	4.88
IP(EA), eV:	-9.28(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations