Geometry & MOs

Info

ID:	400733
PubChem CID:	135048906
Reduced:	BBrPC21H21 (1)
Stoich.:	ABCD21E21 (1)
Weight, g/mol:	310.17501
ΔH_f, kcal/mol:	72.03
Dipole, Da:	7.36
IP(EA), eV:	-7.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-pent-1-ynyl-2-[(1S,2S)-2-thiophen-3-ylcyclopentyl]-1,3-dioxa-2-boranuidacyclohexane

Drug info:

PubChemData

Smile

[B-]([P+](C1=CC=CC=C1C)(C2=CC=CC=C2C)C3=CC=CC=C3C)Br

DOS

IR

Vibrations