Geometry & MOs

Info

ID:	390632
PubChem CID:	135000073
Reduced:	FeNOC18H29 (1)
Stoich.:	ABCD18E29 (1)
Weight, g/mol:	714.477942
ΔH_f, kcal/mol:	335.54
Dipole, Da:	15.01
IP(EA), eV:	-6.35(-2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-(4,4,5,5-tetraphenyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C[C@@H]([C-]1C=CC=C1[C@H](C)N(C)C)O.[CH-]1C=CC=C1.[Fe+4]

DOS

IR

Vibrations