Geometry & MOs

Info

ID:	295734
PubChem CID:	117543470
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	233.080041
ΔH_f, kcal/mol:	0.48
Dipole, Da:	5.69
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=C(NNC2=O)N

DOS

IR

Vibrations