Geometry & MOs

Info

ID:	134067
PubChem CID:	51636323
Reduced:	N3O4C22H37 (1)
Stoich.:	A3B4C22D37 (1)
Weight, g/mol:	409.294057
ΔH_f, kcal/mol:	-159.46
Dipole, Da:	3.01
IP(EA), eV:	-8.35(0.24)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(oxan-4-ylmethyl)azanium

Drug info:

PubChemData

Smile

CN1CCN(CC1)C[C@@H](COC2=C(C=CC(=C2)OC)CNCC3CCOCC3)O

DOS

IR

Vibrations