Geometry & MOs

Info

ID:	400753
PubChem CID:	135048994
Reduced:	BBrOC24H45 (1)
Stoich.:	ABCD24E45 (1)
Weight, g/mol:	366.154083
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755027
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-1-(3-boratricyclo[4.3.1.13,8]undecan-4-ylidene)butyl]-trimethylstannane

Drug info:

PubChemData

Smile

[B-](C#CCCCCC)(/C(=C/CCCCCC)/Br)(C(C)(C)C(C)C)OC(C)C

DOS

IR

Vibrations