Geometry & MOs

Info

ID:	125443
PubChem CID:	50924475
Reduced:	N6H20C23 (1)
Stoich.:	A6B20C23 (1)
Weight, g/mol:	479.21303
ΔH_f, kcal/mol:	139.02
Dipole, Da:	2.23
IP(EA), eV:	-8.58(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5R)-1-ethyl-3-(4-methylphenyl)sulfonyl-4,5-bis(phenylmethoxy)piperidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C3=NC4=C(N3)C=C(C=C4)CC5=CC=CC=C5

DOS

IR

Vibrations