Geometry & MOs

Info

ID:	24314
PubChem CID:	609250
Reduced:	N3H11C15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	233.095297
ΔH_f, kcal/mol:	158.46
Dipole, Da:	4.94
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenylprop-2-ynyl)benzotriazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations