Geometry & MOs

Info

ID:	179142
PubChem CID:	76440919
Reduced:	N2F3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	307.130734
ΔH_f, kcal/mol:	-299.79
Dipole, Da:	8.98
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-(3,5-dimethylphenyl)-4-methyl-3,5,7,8,11-pentaza-2-azoniatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,7,12-pentaen-10-one

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations