Geometry & MOs

Info

ID:	165502
PubChem CID:	74558949
Reduced:	N2O8H18C27 (1)
Stoich.:	A2B8C18D27 (1)
Weight, g/mol:	424.296402
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	9.28
IP(EA), eV:	-9.31(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=NC2=O)[O-]

DOS

IR

Vibrations