Geometry & MOs

Info

ID:	186834
PubChem CID:	77491262
Reduced:	NO10C31H33 (1)
Stoich.:	AB10C31D33 (1)
Weight, g/mol:	610.351906
ΔH_f, kcal/mol:	-364.05
Dipole, Da:	5.17
IP(EA), eV:	-9.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxypiperidin-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)(C2=CC(=C(C=C2)C#N)CC3=CC=C(C=C3)C4CC4)OC(=O)C)CO

DOS

IR

Vibrations