Geometry & MOs

Info

ID:	47008
PubChem CID:	10528915
Reduced:	OPSN2Cl3H20C21 (1)
Stoich.:	ABCD2E3F20G21 (1)
Weight, g/mol:	448.132048
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.79
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-[bis(3-chlorophenyl)methylideneamino]oxyethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1C2=C(C=CC3=CC=CC=C23)OP(=S)(N1C4=CC=C(C=C4)Cl)N(CCCl)CCCl

DOS

IR

Vibrations