Geometry & MOs

Info

ID:	245768
PubChem CID:	103023882
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	4.9
IP(EA), eV:	-9.3(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-4-(1-methylpyrazol-4-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(CNC)C(=O)CCC1=CC=NN1C

DOS

IR

Vibrations