Geometry & MOs

Info

ID:

392905

PubChem CID:

135018416

Reduced:

Cl2N3H16C20 (1)

Stoich.:

A2B3C16D20 (1)

Weight, g/mol:

194.13068

ΔHf, kcal/mol:

108.95

Dipole, Da:

2.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.902711

Charge, e:

 0

Chem-info

IUPAC name:

(4E,6E)-2-hydroxy-2,5-dimethyldeca-4,6,9-trien-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(N=[N+]2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations