Geometry & MOs

Info

ID:	248184
PubChem CID:	103079528
Reduced:	SN6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	127.99
Dipole, Da:	6.03
IP(EA), eV:	-8.36(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)sulfanyl-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=NN=C(N2C3CC3)C4CC4)N

DOS

IR

Vibrations