Geometry & MOs

Info

ID:

436874

PubChem CID:

135212463

Reduced:

N3H11C18 (2)

Stoich.:

A3B11C18 (2)

Weight, g/mol:

480.259737

ΔHf, kcal/mol:

239.31

Dipole, Da:

4.71

IP(EA), eV:

 -8.24(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-2-[ethenyl-(4-methyl-5-oxo-2H-furan-3-yl)amino]propyl]-4-[methyl-[[5-(tetrazol-1-yl)pyrazin-2-yl]methyl]amino]cyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)N5C6=C(C7=CC=CC=C7N6)N=C5C8=CC=CC=C84)C9=CC=CC=C9

DOS

IR

Vibrations