Geometry & MOs

Info

ID:

44147

PubChem CID:

10501170

Reduced:

N2O4C23H32 (1)

Stoich.:

A2B4C23D32 (1)

Weight, g/mol:

400.226312

ΔHf, kcal/mol:

-126.65

Dipole, Da:

1.49

IP(EA), eV:

 -9.31(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(E)-[(3Z)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]methylidene]-2-oxocycloheptylidene]methyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C(=O)/C(=C/[O-])/[N+]#N)O

DOS

IR

Vibrations