Geometry & MOs

Info

ID:

57521

PubChem CID:

22401407

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

468.227374

ΔHf, kcal/mol:

-111.41

Dipole, Da:

2.6

IP(EA), eV:

 -8.89(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-ylidene]acetic acid

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)/C(=C/C(=O)OC(C)OC(=O)OC(C)C)/CC(CC2)C(C)C

DOS

IR

Vibrations