Geometry & MOs

Info

ID:

299653

PubChem CID:

117688303

Reduced:

F2O3N5C26H29 (1)

Stoich.:

A2B3C5D26E29 (1)

Weight, g/mol:

497.223846

ΔHf, kcal/mol:

-144.15

Dipole, Da:

10.77

IP(EA), eV:

 -9.15(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=NC=NC=C2N1)C(=O)N(C3CCN(CC3)C(=O)C)C4=C(C=CC(=C4)C(F)F)OCC5CC5

DOS

IR

Vibrations