Geometry & MOs

Info

ID:	233192
PubChem CID:	87793131
Reduced:	N4H6C9 (2)
Stoich.:	A4B6C9 (2)
Weight, g/mol:	252.069927
ΔH_f, kcal/mol:	203.19
Dipole, Da:	5.36
IP(EA), eV:	-9.0(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(2-hydroxyethyl)-6-methyl-1,6-dihydropyrimidin-1-ium-2-thione;chloride

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)C#N

DOS

IR

Vibrations