Geometry & MOs

Info

ID:	16680
PubChem CID:	474713
Reduced:	ClO2N3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	299.046154
ΔH_f, kcal/mol:	32.82
Dipole, Da:	5.02
IP(EA), eV:	-9.64(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-3-(4-chlorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2C(=CC3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations