Geometry & MOs

Info

ID:	165615
PubChem CID:	74575700
Reduced:	O8C18H19 (1)
Stoich.:	A8B18C19 (1)
Weight, g/mol:	481.317866
ΔH_f, kcal/mol:	-263.54
Dipole, Da:	8.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767467
Charge, e:	1

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-1-[1-(2-morpholin-4-ylpropanoyl)piperidin-4-yl]ethyl]-methyl-(pyridin-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(=C(C(=O)O2)[O-])OCC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations