Geometry & MOs

Info

ID:

439587

PubChem CID:

135229363

Reduced:

O3N9C34H39 (1)

Stoich.:

A3B9C34D39 (1)

Weight, g/mol:

453.248838

ΔHf, kcal/mol:

28.09

Dipole, Da:

6.67

IP(EA), eV:

 -8.41(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-oxoimidazo[1,2-c]pyrimidin-6-yl]cyclopentyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CO[C@]1(CCN(C1)CC(C2CCN(CC2)C3=NC=C(C=C3)C4=NC=CC=N4)O)C(=O)NC5=CC=C6C(C5)C(=NN6)C7=CC=NC=C7

DOS

IR

Vibrations