Geometry & MOs

Info

ID:	443890
PubChem CID:	135260305
Reduced:	ON8H20C22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	470.371973
ΔH_f, kcal/mol:	154.38
Dipole, Da:	5.31
IP(EA), eV:	-8.69(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxymethyl-[2-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C=NC=CC5=N4

DOS

IR

Vibrations