Geometry & MOs

Info

ID:	283637
PubChem CID:	103994842
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	267.118318
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	6.0
IP(EA), eV:	-8.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-tert-butyl-2-(2,4-difluorophenyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

COCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations