Geometry & MOs

Info

ID:	295725
PubChem CID:	117543425
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	4.54
IP(EA), eV:	-9.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(N(NC2=O)C)O

DOS

IR

Vibrations