Geometry & MOs

Info

ID:

436345

PubChem CID:

135199190

Reduced:

N6H20C25 (1)

Stoich.:

A6B20C25 (1)

Weight, g/mol:

503.3552

ΔHf, kcal/mol:

153.55

Dipole, Da:

5.11

IP(EA), eV:

 -8.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-N-methyl-6-[(1E)-3-methyl-1-[1-methyl-3-(5-methylcyclohepta-1,3-dien-1-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-1H-inden-2-ylidene]butan-2-ylidene]cyclohexa-2,4-dien-1-imine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=CC=C2)/C(=C(\C=N)/C3=CN=C4C(=C3)C=C(C5=C4N=CC=C5)N)/N

DOS

IR

Vibrations