Geometry & MOs

Info

ID:	183354
PubChem CID:	77011693
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	7.01
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-5-(pyridine-3-carbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=NC=C2)C=CC(=O)O

DOS

IR

Vibrations