Geometry & MOs

Info

ID:	149992
PubChem CID:	53789675
Reduced:	NSO7C15H27 (1)
Stoich.:	ABC7D15E27 (1)
Weight, g/mol:	267.078996
ΔH_f, kcal/mol:	-240.43
Dipole, Da:	5.39
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1CC(C(C1C(=O)O)C(=O)OCCCONSOOC)CC

DOS

IR

Vibrations