Geometry & MOs

Info

ID:	182564
PubChem CID:	76907414
Reduced:	NO2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	9.15
IP(EA), eV:	-9.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(1-ethylpyrrole-2-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2=CC=CC(=N2)C=CC(=O)O

DOS

IR

Vibrations