Geometry & MOs

Info

ID:	52630
PubChem CID:	12015577
Reduced:	NOSeC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	351.11014
ΔH_f, kcal/mol:	-2.67
Dipole, Da:	4.04
IP(EA), eV:	-8.24(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2CON3[C@@]2(C1)CC[C@H]3C[Se]C4=CC=CC=C4

DOS

IR

Vibrations