Geometry & MOs

Info

ID:	247511
PubChem CID:	103071993
Reduced:	ON4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	45.92
Dipole, Da:	3.39
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C=C(CN)CN1C(=O)C2=CC=CC=C2N=N1

DOS

IR

Vibrations