Geometry & MOs

Info

ID:	147505
PubChem CID:	53787161
Reduced:	NO2C24H43 (1)
Stoich.:	AB2C24D43 (1)
Weight, g/mol:	449.269672
ΔH_f, kcal/mol:	-163.14
Dipole, Da:	3.76
IP(EA), eV:	-8.98(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-N-octadec-9-enoylanilino)acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1CC2C(CC1=O)OC3CCCCC3N2

DOS

IR

Vibrations