Geometry & MOs

Info

ID:	260788
PubChem CID:	103204244
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	255.123243
ΔH_f, kcal/mol:	37.49
Dipole, Da:	5.6
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC2=NC3=CC=CC=C3N=N2

DOS

IR

Vibrations