Geometry & MOs

Info

ID:	205088
PubChem CID:	80054497
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	5.89
IP(EA), eV:	-9.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-pyridin-4-ylsulfanylpropyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1CC2=CC(=C(N=C2C1)SC3=CC=NC=C3)C(=O)O

DOS

IR

Vibrations