Geometry & MOs

Info

ID:	205463
PubChem CID:	80108224
Reduced:	SN5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	207.057866
ΔH_f, kcal/mol:	68.25
Dipole, Da:	2.39
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-2-pyrimidin-4-ylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2C(=C(C=N2)SC)N

DOS

IR

Vibrations