Geometry & MOs

Info

ID:	283638
PubChem CID:	103994846
Reduced:	OF2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-87.43
Dipole, Da:	5.64
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=O)N(N1)C2=C(C=C(C=C2)F)F)N

DOS

IR

Vibrations