Geometry & MOs

Info

ID:	52632
PubChem CID:	12015580
Reduced:	NOSeC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	351.11014
ΔH_f, kcal/mol:	3.46
Dipole, Da:	3.44
IP(EA), eV:	-8.06(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,9S)-9-(1-phenylselanylethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecane

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CCC[C@]23CCC[C@H](N3O1)C[Se]C4=CC=CC=C4

DOS

IR

Vibrations