Geometry & MOs

Info

ID:	233655
PubChem CID:	91148150
Reduced:	O2F3N3H26C27 (1)
Stoich.:	A2B3C3D26E27 (1)
Weight, g/mol:	393.195346
ΔH_f, kcal/mol:	-150.54
Dipole, Da:	7.05
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzo[e]benzotriazol-2-ylphenyl)-(3-methylphenyl)diazene;ethane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=CC(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)C(F)(F)F)OCC4CCC4

DOS

IR

Vibrations