Geometry & MOs

Info

ID:	270350
PubChem CID:	103636169
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	259.077535
ΔH_f, kcal/mol:	-98.53
Dipole, Da:	1.36
IP(EA), eV:	-8.67(2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(C)NC1(CCCC(C1)C)CO

DOS

IR

Vibrations