Geometry & MOs

Info

ID:

333303

PubChem CID:

127251855

Reduced:

O2N5C26H35 (1)

Stoich.:

A2B5C26D35 (1)

Weight, g/mol:

426.31071

ΔHf, kcal/mol:

-50.43

Dipole, Da:

5.44

IP(EA), eV:

 -8.87(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC(=CC=C4)OC5CCCC5)C(=N2)NC

DOS

IR

Vibrations