Geometry & MOs

Info

ID:

57516

PubChem CID:

22401401

Reduced:

ON3C16H19 (2)

Stoich.:

AB3C16D19 (2)

Weight, g/mol:

826.384269

ΔHf, kcal/mol:

29.59

Dipole, Da:

4.83

IP(EA), eV:

 -8.7(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethoxycarbonyloxyethyl (2E)-2-[2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-ylidene]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations