Geometry & MOs

Info

ID:	9296
PubChem CID:	87784
Reduced:	ON3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	161.058912
ΔH_f, kcal/mol:	33.92
Dipole, Da:	1.07
IP(EA), eV:	-9.71(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzotriazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2N=N1

DOS

IR

Vibrations