Geometry & MOs

Info

ID:	192614
PubChem CID:	78291745
Reduced:	OSN3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	177.030504
ΔH_f, kcal/mol:	27.53
Dipole, Da:	4.4
IP(EA), eV:	-9.58(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(hydroxymethyl)-2-oxo-5H-pyrimidin-4-yl]azanium;chloride

Drug info:

PubChemData

Smile

CCC(C)CN1C(=O)N=NC1=S

DOS

IR

Vibrations