Geometry & MOs

Info

ID:

190101

PubChem CID:

77954489

Reduced:

N5O6C27H39 (1)

Stoich.:

A5B6C27D39 (1)

Weight, g/mol:

471.248169

ΔHf, kcal/mol:

-211.87

Dipole, Da:

4.01

IP(EA), eV:

 -8.55(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-(cyclopropylmethylamino)-5-(5,7-dimethoxy-2,3-dihydrofuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NCC2CC2)NC3CC(C(C3)OC(C)(C)O)CO)C4CC5=CC(=NC(=C5O4)OC)OC

DOS

IR

Vibrations