Geometry & MOs

Info

ID:	261394
PubChem CID:	103230552
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-35.53
Dipole, Da:	4.37
IP(EA), eV:	-9.53(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethynylanilino)hexanoic acid

Drug info:

PubChemData

Smile

C#CCNCC1=C(C=CO1)C(=O)O

DOS

IR

Vibrations