Geometry & MOs

Info

ID:	255559
PubChem CID:	103132965
Reduced:	SN3O3C9H15 (1)
Stoich.:	AB3C3D9E15 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	6.01
IP(EA), eV:	-9.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations