Geometry & MOs

Info

ID:	248185
PubChem CID:	103079529
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	265.099731
ΔH_f, kcal/mol:	32.05
Dipole, Da:	3.38
IP(EA), eV:	-7.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-1-methylpyrazol-3-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=CC=CC(=C2)OC)N

DOS

IR

Vibrations