Geometry & MOs

Info

ID:	199715
PubChem CID:	79286459
Reduced:	ON2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	303.022912
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	2.8
IP(EA), eV:	-9.66(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichloro-5-fluorophenyl)ethyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

C#CCNCC(=O)NCC1CCCC1

DOS

IR

Vibrations