Geometry & MOs

Info

ID:	397117
PubChem CID:	135029755
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	3.52
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4,6-dimethylbenzotriazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=CC=C3)OC)N=N2

DOS

IR

Vibrations