Geometry & MOs

Info

ID:

297607

PubChem CID:

117623574

Reduced:

N3H13C20 (3)

Stoich.:

A3B13C20 (3)

Weight, g/mol:

851.596493

ΔHf, kcal/mol:

369.34

Dipole, Da:

1.19

IP(EA), eV:

 -8.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-butan-2-yl-4-(N-[3-(2-ethylhexoxy)phenyl]anilino)phenyl]imino-1-oxonaphthalen-2-yl]-3-ethyl-N-(2-ethylhexyl)heptanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C(=CC=C4)N(C6=CC=CC=C6)C7=CC=CC8=C7C9=CC=CC=C9N8C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations