Geometry & MOs

Info

ID:

57514

PubChem CID:

22401399

Reduced:

O2N6C29H32 (1)

Stoich.:

A2B6C29D32 (1)

Weight, g/mol:

608.311104

ΔHf, kcal/mol:

34.36

Dipole, Da:

4.64

IP(EA), eV:

 -9.06(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2E)-2-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-ylidene]acetyl]oxyethyl cyclohexanecarboxylate

Drug info:

PubChemData

Smile

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)/C(=C/C(=O)O)/CCCC2

DOS

IR

Vibrations