Geometry & MOs

Info

ID:	400582
PubChem CID:	135048399
Reduced:	N2O5C30H44 (1)
Stoich.:	A2B5C30D44 (1)
Weight, g/mol:	230.220581
ΔH_f, kcal/mol:	-171.56
Dipole, Da:	2.36
IP(EA), eV:	-8.03(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC(C)[C@@H](COC(C)(C)C)N=CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC

DOS

IR

Vibrations