Geometry & MOs

Info

ID:	166792
PubChem CID:	74734635
Reduced:	O3N5C31H35 (1)
Stoich.:	A3B5C31D35 (1)
Weight, g/mol:	370.213067
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	5.32
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)OCC2CC3CCN2CC3C4=NC(=NC(=C4)C5CCCC5)C6=CC=NC=C6

DOS

IR

Vibrations