Geometry & MOs

Info

ID:	227370
PubChem CID:	87561555
Reduced:	OCl2N3H8F9C18 (1)
Stoich.:	AB2C3D8E9F18 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-432.13
Dipole, Da:	1.65
IP(EA), eV:	-9.39(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethoxymethyl)-5-nitro-5-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2Cl)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Cl)N)C#N

DOS

IR

Vibrations