Geometry & MOs

Info

ID:	424216
PubChem CID:	135121759
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	277.017353
ΔH_f, kcal/mol:	64.8
Dipole, Da:	3.47
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dichlorophenyl)methyl]benzotriazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NCCN3C=CC=C3

DOS

IR

Vibrations