Geometry & MOs

Info

ID:	245827
PubChem CID:	103024120
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	2.58
IP(EA), eV:	-8.96(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-1-(1-methylpyrazol-4-yl)octan-3-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2CSCCN2

DOS

IR

Vibrations