Geometry & MOs

Info

ID:	253369
PubChem CID:	103117998
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	281.131031
ΔH_f, kcal/mol:	3.91
Dipole, Da:	4.02
IP(EA), eV:	-8.53(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=S)N)N1CCN(CC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations