Geometry & MOs

Info

ID:

299702

PubChem CID:

117688728

Reduced:

F2O3N5C19H21 (1)

Stoich.:

A2B3C5D19E21 (1)

Weight, g/mol:

463.230743

ΔHf, kcal/mol:

-148.15

Dipole, Da:

2.63

IP(EA), eV:

 -9.29(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

C1COCC1C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations