Geometry & MOs

Info

ID:

333286

PubChem CID:

127251838

Reduced:

O3N5C23H29 (1)

Stoich.:

A3B5C23D29 (1)

Weight, g/mol:

437.24269

ΔHf, kcal/mol:

-77.64

Dipole, Da:

8.88

IP(EA), eV:

 -9.26(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)C4=CC=C(C=C4)COC)NC

DOS

IR

Vibrations