Geometry & MOs

Info

ID:

141853

PubChem CID:

52938284

Reduced:

ON7C33H37 (1)

Stoich.:

AB7C33D37 (1)

Weight, g/mol:

502.260486

ΔHf, kcal/mol:

90.1

Dipole, Da:

2.83

IP(EA), eV:

 -8.44(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[4-[7-fluoro-8-methyl-3-[(1S)-1-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC(CN(C)C3=NC=NC4=C3N=C(N4C5=CC=CC=C5)C6=CC=CC=C6)O)C

DOS

IR

Vibrations