Geometry & MOs

Info

ID:

308948

PubChem CID:

126532454

Reduced:

N4O4C14H21 (2)

Stoich.:

A4B4C14D21 (2)

Weight, g/mol:

450.105895

ΔHf, kcal/mol:

-314.12

Dipole, Da:

7.53

IP(EA), eV:

 -8.97(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R)-1-[[3-chloro-7-fluoro-2-methyl-6-(6-oxo-1H-pyridin-3-yl)quinolin-4-yl]amino]ethyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)NC(CC/C(=C/[N+]#N)/[O-])C(=O)OC(C)C)N

DOS

IR

Vibrations