Geometry & MOs

Info

ID:	213334
PubChem CID:	81063480
Reduced:	BrN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	304.103477
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	4.54
IP(EA), eV:	-9.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CN1C)Br

DOS

IR

Vibrations