Geometry & MOs

Info

ID:	167056
PubChem CID:	74774448
Reduced:	FON2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	5.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.910871
Charge, e:	2

Chem-info

IUPAC name:

1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC=C(C)C[NH+]1CCCC(C1)CNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations