Geometry & MOs

Info

ID:	400608
PubChem CID:	135048505
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	270.30701
ΔH_f, kcal/mol:	-211.42
Dipole, Da:	2.14
IP(EA), eV:	-9.83(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;3,3-dimethylbut-1-ynyl-tris(2-methylpropyl)boranuide

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@H]2C[C@H]([C@@H]3[C@H]2OC(O3)(C)C)CC(=O)C4=NC=CS4)C

DOS

IR

Vibrations