Geometry & MOs

Info

ID:

57518

PubChem CID:

22401403

Reduced:

O2N6C29H32 (1)

Stoich.:

A2B6C29D32 (1)

Weight, g/mol:

496.258674

ΔHf, kcal/mol:

46.77

Dipole, Da:

6.5

IP(EA), eV:

 -8.65(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[2-ethyl-6-propan-2-yl-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=NC\2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)CCCC/C2=C/C(=O)OCC

DOS

IR

Vibrations