Geometry & MOs

Info

ID:	37596
PubChem CID:	8022532
Reduced:	N2O3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	279.170868
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	13.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753052
Charge, e:	1

Chem-info

IUPAC name:

(3R)-3-(4-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanoate

Drug info:

PubChemData

Smile

C[NH+]1CC[NH+](CC1)[C@@H](CC(=O)[O-])C2=CC=C(C=C2)OC

DOS

IR

Vibrations