Geometry & MOs

Info

ID:

84893

PubChem CID:

49870575

Reduced:

N2O6C29H34 (1)

Stoich.:

A2B6C29D34 (1)

Weight, g/mol:

511.225577

ΔHf, kcal/mol:

-175.57

Dipole, Da:

5.99

IP(EA), eV:

 -9.6(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[5-[2-(dimethylamino)ethoxy]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#CC2(CN(C2)C(=O)OC)O)N3CC[C@](OC3=O)(CC(C)(C)O)C4=CC=CC=C4

DOS

IR

Vibrations