Geometry & MOs

Info

ID:	342500
PubChem CID:	127265655
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	8.1
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)C=CC(=O)O)NC=C2

DOS

IR

Vibrations