Geometry & MOs

Info

ID:	54514
PubChem CID:	17388801
Reduced:	ClO9H11C18 (1)
Stoich.:	AB9C11D18 (1)
Weight, g/mol:	237.149557
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	23.17
IP(EA), eV:	-9.8(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-aminoundecanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C\1=CC(=CC/2=[O+]C(=O)C\3=CC4=C(C=C(C=C4)O)O/C3=C/C=C21)O.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations