Geometry & MOs

Info

ID:

190100

PubChem CID:

77954169

Reduced:

N2O6C23H26 (1)

Stoich.:

A2B6C23D26 (1)

Weight, g/mol:

529.290034

ΔHf, kcal/mol:

-220.27

Dipole, Da:

7.85

IP(EA), eV:

 -8.52(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-(cyclopropylmethylamino)-5-(5,7-dimethoxy-2,3-dihydrofuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentyl]oxypropan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)OC12CCCC=C1N(C(=O)C2CC(=O)O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations