Geometry & MOs

Info

ID:

50535

PubChem CID:

12013081

Reduced:

N3C8H16 (1)

Stoich.:

A3B8C16 (1)

Weight, g/mol:

158.091908

ΔHf, kcal/mol:

77.05

Dipole, Da:

4.92

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.758674

Charge, e:

0

Chem-info

IUPAC name:

lithium;2-oxidooxypropan-2-ylbenzene

Drug info:

PubChemData

Smile

C[N+](C)(CC=C)NCCC#N

DOS

IR

Vibrations