Geometry & MOs

Info

ID:	295737
PubChem CID:	117543476
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	223.075705
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	6.24
IP(EA), eV:	-8.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C(NNC2=O)N

DOS

IR

Vibrations