Geometry & MOs

Info

ID:

426102

PubChem CID:

135137869

Reduced:

ON2C20H26 (1)

Stoich.:

AB2C20D26 (1)

Weight, g/mol:

700.309973

ΔHf, kcal/mol:

2.12

Dipole, Da:

3.77

IP(EA), eV:

 -8.83(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[[1-[5-chloro-4-[[1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carbonyl]-methylamino]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(N1CC2=CC=CC=C2)CO)CC3=CC=CC=C3

DOS

IR

Vibrations