Geometry & MOs

Info

ID:	208525
PubChem CID:	80540424
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	296.05394
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	3.26
IP(EA), eV:	-9.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCN1C(=C)C2=CC=CC=C2C1=O)C(=O)O

DOS

IR

Vibrations