Geometry & MOs

Info

ID:	400493
PubChem CID:	135048122
Reduced:	BLiC35H62 (1)
Stoich.:	ABC35D62 (1)
Weight, g/mol:	467.21074
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	8.67
IP(EA), eV:	-8.32(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[bis(5-cyanopentyl)boranyl]-7-(2-bromophenyl)heptanenitrile

Drug info:

PubChemData

Smile

[Li+].[B-](C#CCCCCCCCCC)([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)[C@@H](C)CC

DOS

IR

Vibrations