Geometry & MOs

Info

ID:	176987
PubChem CID:	76122248
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	219.063048
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	3.38
IP(EA), eV:	-9.48(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-amino-N,1-dioxo-2H-1,2,4-benzotriazin-1-ium-7-carboximidamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NCCC1=CC=CC=C1

DOS

IR

Vibrations