Geometry & MOs

Info

ID:

323730

PubChem CID:

126675854

Reduced:

N12O20C51H66 (1)

Stoich.:

A12B20C51D66 (1)

Weight, g/mol:

375.191992

ΔHf, kcal/mol:

-573.92

Dipole, Da:

14.78

IP(EA), eV:

 -8.22(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-hydrazinyl-4-[[1-[[3-(1H-imidazol-5-yl)phenyl]methyl]pyrazol-4-yl]methyl]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

C[C@H](C1[C@H]([C@@H](C([C@H](O1)O[C@@H]([C@@H](COC(=O)C)O[C@H]2[C@H](C([C@H](O2)CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(CCN=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations