Geometry & MOs

Info

ID:	203200
PubChem CID:	79791968
Reduced:	NF3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	298.092912
ΔH_f, kcal/mol:	-275.51
Dipole, Da:	1.74
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-(quinolin-6-ylmethylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCNC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations