Geometry & MOs

Info

ID:

439086

PubChem CID:

135228849

Reduced:

N3C28H37 (1)

Stoich.:

A3B28C37 (1)

Weight, g/mol:

432.277678

ΔHf, kcal/mol:

51.2

Dipole, Da:

4.6

IP(EA), eV:

 -7.37(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-[(2E)-2-[6-[(Z)-1-amino-3-(2-methylpropylimino)prop-1-en-2-yl]-7-methyl-2-methylidene-3-propan-2-yl-3,4-dihydronaphthalen-1-ylidene]acetyl]but-2-enal

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N3C2=CC(=C)C(=C3)C(=C)C)C(C)C)C=C1/C(=C/N)/C=NCC(C)C

DOS

IR

Vibrations