Geometry & MOs

Info

ID:	260781
PubChem CID:	103203765
Reduced:	N4O4H10C11 (1)
Stoich.:	A4B4C10D11 (1)
Weight, g/mol:	261.101445
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	8.56
IP(EA), eV:	-9.81(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,2,4-benzotriazin-3-yl(methyl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N=N2)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations