Geometry & MOs

Info

ID:

80592

PubChem CID:

49835342

Reduced:

BrS2N4O4H23C27 (1)

Stoich.:

AB2C4D4E23F27 (1)

Weight, g/mol:

431.193054

ΔHf, kcal/mol:

-42.09

Dipole, Da:

9.82

IP(EA), eV:

 -8.52(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)CC(=O)N)/C3=CSC(=C3O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations