Geometry & MOs

Info

ID:	205464
PubChem CID:	80108225
Reduced:	SN5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	91.31
Dipole, Da:	1.64
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-4-methylsulfanylpyrazol-1-yl)cycloheptan-1-ol

Drug info:

PubChemData

Smile

CSC1=C(N(N=C1)C2=NC=NC=C2)N

DOS

IR

Vibrations