Geometry & MOs

Info

ID:

299652

PubChem CID:

117688301

Reduced:

F3O3N5C26H28 (1)

Stoich.:

A3B3C5D26E28 (1)

Weight, g/mol:

497.223846

ΔHf, kcal/mol:

-207.45

Dipole, Da:

9.32

IP(EA), eV:

 -9.18(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-N-[2-(cyclopropylmethoxy)-5-(difluoromethyl)phenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CC[C@](C1)(NC(=O)C2=C(NC3=C2N=CN=C3C4=C(C=CC(=C4)C(F)F)OCC5CC5)C)F

DOS

IR

Vibrations