Geometry & MOs

Info

ID:

80414

PubChem CID:

49834343

Reduced:

N4H17C18 (2)

Stoich.:

A4B17C18 (2)

Weight, g/mol:

623.275721

ΔHf, kcal/mol:

180.47

Dipole, Da:

3.26

IP(EA), eV:

 -8.47(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[4-[5-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-4-methoxyanilino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CN(C)CCC1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C5=CC6=C(C=C5)N=C(N6)CCC7=CC=CC=C7

DOS

IR

Vibrations