Geometry & MOs

Info

ID:	32047
PubChem CID:	4254244
Reduced:	N2S2O4H18C21 (1)
Stoich.:	A2B2C4D18E21 (1)
Weight, g/mol:	149.082721
ΔH_f, kcal/mol:	-102.03
Dipole, Da:	4.94
IP(EA), eV:	-8.82(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,6-diamino-4-methylpyridin-1-ium-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

DOS

IR

Vibrations