Geometry & MOs

Info

ID:	400724
PubChem CID:	135048893
Reduced:	BOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	252.187289
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	1.48
IP(EA), eV:	-9.19(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;methyl-(2-phenylethynyl)-di(propan-2-yloxy)boranuide

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)O/C(=C\CC#CC(C)(C)C)/C

DOS

IR

Vibrations