Geometry & MOs

Info

ID:	389810
PubChem CID:	134995343
Reduced:	NPC3O3H11 (1)
Stoich.:	ABC3D3E11 (1)
Weight, g/mol:	158.10955
ΔH_f, kcal/mol:	-172.01
Dipole, Da:	7.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760680
Charge, e:	0

Chem-info

IUPAC name:

dodeca-4,6,8-triyne

Drug info:

PubChemData

Smile

CC(C)O[P+](=O)[O-].[NH4+]

DOS

IR

Vibrations