Geometry & MOs

Info

ID:	183295
PubChem CID:	77003777
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	302.04582
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	6.83
IP(EA), eV:	-8.75(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)prop-2-enoylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)NC3=C(C=CC=N3)C(=O)O)NNN2

DOS

IR

Vibrations