Geometry & MOs

Info

ID:	400690
PubChem CID:	135048770
Reduced:	B3N4C9H23 (1)
Stoich.:	A3B4C9D23 (1)
Weight, g/mol:	328.158881
ΔH_f, kcal/mol:	38.72
Dipole, Da:	2.5
IP(EA), eV:	-5.8(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-(5-chloropent-1-ynyl)-2-[(1S,2S)-2-(furan-2-yl)cyclopentyl]-1,3-dioxa-2-boranuidacyclohexane

Drug info:

PubChemData

Smile

[B-]1[N+]([B-](C[N+]1(C)C)C#[N+][B-][N+](C)(C)C)(C)C

DOS

IR

Vibrations