Geometry & MOs

Info

ID:	198702
PubChem CID:	79138914
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	281.061197
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	3.98
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C(C2=CC3=C(C=C2)OCCCO3)O

DOS

IR

Vibrations