Geometry & MOs

Info

ID:	183150
PubChem CID:	76983804
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	2.9
IP(EA), eV:	-9.97(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(1H-pyrazole-4-carbonylamino)ethyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C=CC(=O)O)NC(=O)C2=CC=NN2

DOS

IR

Vibrations