Geometry & MOs

Info

ID:

311373

PubChem CID:

126591225

Reduced:

SN4H24C41 (1)

Stoich.:

AB4C24D41 (1)

Weight, g/mol:

351.2926

ΔHf, kcal/mol:

237.8

Dipole, Da:

5.47

IP(EA), eV:

 -8.07(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methyl-4-(2-methylbut-1-enyl)-5-[(Z)-1-(2-methylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-6-propyl-3H-pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8S7)C9=CC=CC(=C9)C#N

DOS

IR

Vibrations