Geometry & MOs

Info

ID:	261392
PubChem CID:	103230320
Reduced:	BrNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	1.32
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methylanilino)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)NCC(C(=O)OC)Br

DOS

IR

Vibrations