Geometry & MOs

Info

ID:

411853

PubChem CID:

135084698

Reduced:

ClN2H10C12 (1)

Stoich.:

AB2C10D12 (1)

Weight, g/mol:

226.120509

ΔHf, kcal/mol:

56.98

Dipole, Da:

2.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.173421

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methoxy-3-oxodec-4-ynoate

Drug info:

PubChemData

Smile

C[N+]1=C(C=CC2=C1NC3=CC=CC=C23)Cl

DOS

IR

Vibrations