Geometry & MOs

Info

ID:	400678
PubChem CID:	135048700
Reduced:	BNPH20C21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	272.286274
ΔH_f, kcal/mol:	154.11
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818037
Charge, e:	0

Chem-info

IUPAC name:

lithium;hex-1-ynyl-methoxy-bis(3-methylbutan-2-yl)boranuide

Drug info:

PubChemData

Smile

[B-](C#[N+]CC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations