Geometry & MOs

Info

ID:	21148
PubChem CID:	587341
Reduced:	ClO2N3H14C20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	363.077454
ΔH_f, kcal/mol:	50.8
Dipole, Da:	2.12
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzotriazol-2-yl)-4-methylphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)N3N=C4C=CC=CC4=N3

DOS

IR

Vibrations