Geometry & MOs

Info

ID:	211680
PubChem CID:	81049461
Reduced:	ClFOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	301.061804
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	5.43
IP(EA), eV:	-9.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations