Geometry & MOs

Info

ID:

176288

PubChem CID:

76026317

Reduced:

O2N3C10H13 (2)

Stoich.:

A2B3C10D13 (2)

Weight, g/mol:

539.310769

ΔHf, kcal/mol:

-97.18

Dipole, Da:

8.21

IP(EA), eV:

 -9.02(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[cyclopentyl(methyl)amino]-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4CCCC(=O)N4)(C)C

DOS

IR

Vibrations