Geometry & MOs

Info

ID:	174213
PubChem CID:	75741593
Reduced:	ClN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	409.270247
ΔH_f, kcal/mol:	-77.34
Dipole, Da:	2.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755554
Charge, e:	1

Chem-info

IUPAC name:

1-[2-methoxy-6-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1C[NH+](CCC1O)C2CCN(CC2O)CC3=CC=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations