Geometry & MOs

Info

ID:

449014

PubChem CID:

135295200

Reduced:

ClO2N4H23C28 (1)

Stoich.:

AB2C4D23E28 (1)

Weight, g/mol:

482.268176

ΔHf, kcal/mol:

19.75

Dipole, Da:

3.12

IP(EA), eV:

 -8.6(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=N1)N2C=C(C3=C2C=C(C=C3)C4=CN(C(=O)C(=C4)Cl)C)C5=CC=C(C=C5)C(=O)N

DOS

IR

Vibrations