Geometry & MOs

Info

ID:	52629
PubChem CID:	12015576
Reduced:	SeN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	323.07884
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	1.63
IP(EA), eV:	-8.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,8S)-4-(phenylselanylmethyl)-6-oxa-5-azatricyclo[6.3.0.01,5]undecane

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@@H](N1O[C@H]3[C@@H]2C(=O)N(C3=O)C)C[Se]C4=CC=CC=C4

DOS

IR

Vibrations