Geometry & MOs

Info

ID:	400734
PubChem CID:	135048908
Reduced:	BLiSO2C17H24 (1)
Stoich.:	ABCD2E17F24 (1)
Weight, g/mol:	387.273345
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	8.43
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S)-2-(9-borabicyclo[3.3.1]nonan-9-yl)-1,2-diphenylethyl]morpholine

Drug info:

PubChemData

Smile

[Li+].[B-]1(OCCCO1)(C#CCCC)[C@H]2CCC[C@@H]2C3=CSC=C3

DOS

IR

Vibrations