Geometry & MOs

Info

ID:

323706

PubChem CID:

126675777

Reduced:

O2N7C18H23 (1)

Stoich.:

A2B7C18D23 (1)

Weight, g/mol:

508.252207

ΔHf, kcal/mol:

26.38

Dipole, Da:

4.2

IP(EA), eV:

 -8.27(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[[(Z)-3-amino-2-[(3,6-diamino-2-hydrazinylpyridin-4-yl)methyl]prop-2-enylidene]amino]methyl]-5-(trifluoromethyl)phenyl]-5-hydroxy-4-(methylamino)pentanal

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations