Geometry & MOs

Info

ID:	50452
PubChem CID:	12012990
Reduced:	NSeO2C23H33 (1)
Stoich.:	ABC2D23E33 (1)
Weight, g/mol:	393.1207
ΔH_f, kcal/mol:	-96.37
Dipole, Da:	3.44
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-N,N,7a-trimethyl-5-oxo-1-(phenylselanylmethyl)-2,3,3a,4,6,7-hexahydro-1H-indene-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H]1[C@@H]2CCC[C@@H]([C@]2(CCC1=O)C)C[Se]C3=CC=CC=C3

DOS

IR

Vibrations