Geometry & MOs

Info

ID:	260806
PubChem CID:	103205050
Reduced:	H5N7C12 (1)
Stoich.:	A5B7C12 (1)
Weight, g/mol:	290.129824
ΔH_f, kcal/mol:	205.2
Dipole, Da:	9.08
IP(EA), eV:	-10.34(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(chloromethyl)-3-methylcyclohexyl]-1,2,4-benzotriazin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N=N2)N3C=NC(=C3C#N)C#N

DOS

IR

Vibrations