Geometry & MOs

Info

ID:	52631
PubChem CID:	12015578
Reduced:	NOSeC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	351.11014
ΔH_f, kcal/mol:	6.31
Dipole, Da:	3.29
IP(EA), eV:	-8.08(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6R,9S)-6-methyl-9-(phenylselanylmethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecane

Drug info:

PubChemData

Smile

CCC([C@@H]1CC[C@]23N1OC[C@H]2CCC3)[Se]C4=CC=CC=C4

DOS

IR

Vibrations