Geometry & MOs

Info

ID:

191283

PubChem CID:

78125527

Reduced:

O3N4H28C34 (1)

Stoich.:

A3B4C28D34 (1)

Weight, g/mol:

682.260627

ΔHf, kcal/mol:

110.05

Dipole, Da:

3.98

IP(EA), eV:

 -8.99(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cycloheptyl-3-[4-[[4-(3-cyclopenta-1,4-dien-1-ylprop-2-enoyl)phenoxy]methyl]triazol-1-yl]-4-(2-phenylethenyl)azetidin-2-one;cyclopenta-1,3-diene;iron

Drug info:

PubChemData

Smile

C1C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)OCC3=CN(N=N3)C4C(N(C4=O)C5=CC=CC=C5)C=CC6=CC=CC=C6

DOS

IR

Vibrations