Geometry & MOs

Info

ID:	392819
PubChem CID:	135018050
Reduced:	NO2H21C32 (1)
Stoich.:	AB2C21D32 (1)
Weight, g/mol:	328.181373
ΔH_f, kcal/mol:	60.77
Dipole, Da:	2.8
IP(EA), eV:	-8.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-bis[(4-methylphenyl)methyl]benzotriazol-3-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC4(C=C3C5=CC=CC=C5)C6=C(C7=CC=CC=C7C=C6)NC4=O

DOS

IR

Vibrations