Geometry & MOs

Info

ID:	50451
PubChem CID:	12012989
Reduced:	NSeO2C18H25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	435.16765
ΔH_f, kcal/mol:	-77.34
Dipole, Da:	4.32
IP(EA), eV:	-8.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4aS,5S,8aS)-N,N-diethyl-4a-methyl-2-oxo-5-(phenylselanylmethyl)-1,3,4,5,6,7,8,8a-octahydronaphthalene-1-carboxamide

Drug info:

PubChemData

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CCC([C@H]1CCCC(=O)[C@@H]1C(=O)N(C)C)[Se]C2=CC=CC=C2

DOS

IR

Vibrations