Geometry & MOs

Info

ID:	134585
PubChem CID:	51717640
Reduced:	FO2N3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	482.172739
ΔH_f, kcal/mol:	20.62
Dipole, Da:	4.7
IP(EA), eV:	-8.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-[(R)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-carboxylatomethyl]-6-fluoroindol-1-yl]propanoate

Drug info:

PubChemData

Smile

C#CCOC1=CC=C(C=C1)[C@H]2CC(=O)NC3=C2N=CN3C4=CC=CC=C4F

DOS

IR

Vibrations