Geometry & MOs

Info

ID:	183155
PubChem CID:	76983848
Reduced:	ON5C8H13 (1)
Stoich.:	AB5C8D13 (1)
Weight, g/mol:	257.080041
ΔH_f, kcal/mol:	54.7
Dipole, Da:	4.06
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1H-pyrazole-5-carbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CNCCC1NOC(=N1)C2=CNN=C2

DOS

IR

Vibrations