Geometry & MOs

Info

ID:

299643

PubChem CID:

117688253

Reduced:

FN5O5C26H30 (1)

Stoich.:

AB5C5D26E30 (1)

Weight, g/mol:

495.211784

ΔHf, kcal/mol:

-174.21

Dipole, Da:

5.86

IP(EA), eV:

 -8.94(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-3-hydroxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)F)OCC4CC4)OC(=O)NC5CCN(CC5)C(=O)[C@H](C)O

DOS

IR

Vibrations