Geometry & MOs

Info

ID:	245767
PubChem CID:	103023869
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-60.31
Dipole, Da:	4.46
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(methylamino)-5-(2-methylpyrazol-3-yl)pentan-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC(=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations