Geometry & MOs

Info

ID:

80448

PubChem CID:

49834507

Reduced:

O2N3C26H41 (1)

Stoich.:

A2B3C26D41 (1)

Weight, g/mol:

632.262378

ΔHf, kcal/mol:

-83.72

Dipole, Da:

4.38

IP(EA), eV:

 -8.63(0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(dimethylamino)ethyl]phenyl]-4-[2-[2-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5

DOS

IR

Vibrations