Geometry & MOs

Info

ID:	295733
PubChem CID:	117543468
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-20.74
Dipole, Da:	6.54
IP(EA), eV:	-8.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(4-propan-2-ylphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(NNC2=O)N

DOS

IR

Vibrations