Geometry & MOs

Info

ID:

80175

PubChem CID:

49833406

Reduced:

BrClN2O4H20C26 (1)

Stoich.:

ABC2D4E20F26 (1)

Weight, g/mol:

610.280472

ΔHf, kcal/mol:

-83.79

Dipole, Da:

3.46

IP(EA), eV:

 -8.97(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[[4-[2-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]methyl-methylamino]ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5=C(N3)C=CC(=C5)Br

DOS

IR

Vibrations