Geometry & MOs

Info

ID:	219417
PubChem CID:	85148634
Reduced:	NSP2O7C20H45 (1)
Stoich.:	ABC2D7E20F45 (1)
Weight, g/mol:	505.24285
ΔH_f, kcal/mol:	-496.75
Dipole, Da:	4.49
IP(EA), eV:	-8.56(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperidin-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCSCC(COP(=O)(O)OCCN)OP(=O)(CCCCCCC)O

DOS

IR

Vibrations