Geometry & MOs

Info

ID:	190972
PubChem CID:	78088447
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	681.627125
ΔH_f, kcal/mol:	-140.16
Dipole, Da:	6.63
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)nonadec-13-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC=C1N(C(=O)C2CC(=O)O)CC#CC3=CC=CC=C3

DOS

IR

Vibrations