Geometry & MOs

Info

ID:

439519

PubChem CID:

135229294

Reduced:

NO5C51H100 (2)

Stoich.:

AB5C51D100 (2)

Weight, g/mol:

439.233188

ΔHf, kcal/mol:

-868.38

Dipole, Da:

5.38

IP(EA), eV:

 -8.66(0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclopropyl-6-[3-[1-hydroxyprop-2-enyl(methyl)amino]cyclobutyl]-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCCCCCC)CC(CCCCCC)C(CC)CC(CCCCCC)C(=O)OCCCCCCCCCN(CCCCCCCCCOC(=O)C(CCCC)CCCCCC)CCCCO)CCCCO

DOS

IR

Vibrations