Geometry & MOs

Info

ID:	37595
PubChem CID:	8022529
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	279.170868
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	5.87
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CC(=O)O)N2CCCC2

DOS

IR

Vibrations