Geometry & MOs

Info

ID:

427341

PubChem CID:

135157373

Reduced:

NOH25C32 (1)

Stoich.:

ABC25D32 (1)

Weight, g/mol:

551.236148

ΔHf, kcal/mol:

86.9

Dipole, Da:

1.65

IP(EA), eV:

 -8.39(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(9E)-9-[(Z)-but-2-enylidene]-10-methylidene-8-phenyl-8,12-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-12-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2N(C3=CC=CC=C3O1)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations