Geometry & MOs

Info

ID:

333272

PubChem CID:

127251824

Reduced:

ON6C26H36 (1)

Stoich.:

AB6C26D36 (1)

Weight, g/mol:

434.27941

ΔHf, kcal/mol:

-2.06

Dipole, Da:

6.27

IP(EA), eV:

 -8.13(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC=C(C=C4)N5CCCCC5)C(=N2)NC

DOS

IR

Vibrations