Geometry & MOs

Info

ID:	396941
PubChem CID:	135029488
Reduced:	NOH5C8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	23.31
Dipole, Da:	4.7
IP(EA), eV:	-9.32(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-phenylbenzotriazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)C(=O)C1=O

DOS

IR

Vibrations