Geometry & MOs

Info

ID:	400635
PubChem CID:	135048560
Reduced:	BNO2C21H34 (1)
Stoich.:	ABC2D21E34 (1)
Weight, g/mol:	258.251881
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	3.0
IP(EA), eV:	-9.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene

Drug info:

PubChemData

Smile

B1(CCCCN(CCC1)C(=O)OCC2=CC=CC=C2)C(C)(C)C(C)C

DOS

IR

Vibrations