Geometry & MOs

Info

ID:

146119

PubChem CID:

53638353

Reduced:

NCl2H15C17 (1)

Stoich.:

AB2C15D17 (1)

Weight, g/mol:

605.273715

ΔHf, kcal/mol:

33.0

Dipole, Da:

3.69

IP(EA), eV:

 -8.3(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-hydroxy-3-propan-2-yloxypropoxy)-6-[4-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-phenyl-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(=CN)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations