Geometry & MOs

Info

ID:	136077
PubChem CID:	51975283
Reduced:	NOC14H17 (2)
Stoich.:	ABC14D17 (2)
Weight, g/mol:	475.259683
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	4.16
IP(EA), eV:	-8.61(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2,2-diphenylethoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C[C@H](COCC(C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations