Geometry & MOs

Info

ID:

318232

PubChem CID:

126649939

Reduced:

O2C28H43 (2)

Stoich.:

A2B28C43 (2)

Weight, g/mol:

461.207642

ΔHf, kcal/mol:

-244.14

Dipole, Da:

4.13

IP(EA), eV:

 -9.26(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[1-[[3-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCC(=O)O)(C1=CC=CC=C1)C(C)(C)C2=CC(=CC=C2)C(C)(C)C(CCCCCCCCCCCC)(CCC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations