Geometry & MOs

Info

ID:

164322

PubChem CID:

74382891

Reduced:

O4N5C26H33 (1)

Stoich.:

A4B5C26D33 (1)

Weight, g/mol:

587.229932

ΔHf, kcal/mol:

-89.38

Dipole, Da:

5.99

IP(EA), eV:

 -8.67(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-chlorophenyl)-[1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCCC(C5)OC

DOS

IR

Vibrations