Geometry & MOs

Info

ID:

378401

PubChem CID:

134224481

Reduced:

FN3O4C38H44 (1)

Stoich.:

AB3C4D38E44 (1)

Weight, g/mol:

457.320546

ΔHf, kcal/mol:

-178.37

Dipole, Da:

3.26

IP(EA), eV:

 -8.49(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[2-[(5Z)-6-(ethenylamino)-8-ethyl-9-methyl-4-(2,4,6-trimethylphenyl)imino-1,2-dihydro-3-benzazocin-3-yl]ethyl]ethene-1,1-diamine

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)NC56C[C@@H](CC(C5)(CC(C6)C)O)C

DOS

IR

Vibrations