Geometry & MOs

Info

ID:	408759
PubChem CID:	135081527
Reduced:	O7H28C33 (1)
Stoich.:	A7B28C33 (1)
Weight, g/mol:	206.220581
ΔH_f, kcal/mol:	-155.76
Dipole, Da:	16.05
IP(EA), eV:	-8.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aS)-1-(2,3-dimethylbutan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]borinine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CC3=CC4=C(C=C3OC2)O/C(=C\5/C=CC(=O)C=C5OC)/C=C4C6=CC=C(C=C6)O)OC

DOS

IR

Vibrations