Geometry & MOs

Info

ID:	168400
PubChem CID:	74962346
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	397.355594
ΔH_f, kcal/mol:	-102.78
Dipole, Da:	5.83
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxyethylamino) docos-13-enoate

Drug info:

PubChemData

Smile

C1CNCCC12CC(=O)C3=C(O2)C=CC(=C3)C=CC(=O)NO

DOS

IR

Vibrations