Geometry & MOs

Info

ID:	183628
PubChem CID:	77046476
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	240.14605
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	1.3
IP(EA), eV:	-9.21(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(1-amino-2-methylbutan-2-yl)imino-2,4-dimethyl-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

C1CCCC(CC1)(COCC=CC2=CC=CC=C2)N

DOS

IR

Vibrations