Geometry & MOs

Info

ID:

13615

PubChem CID:

396054

Reduced:

O2F3N4H21C33 (1)

Stoich.:

A2B3C4D21E33 (1)

Weight, g/mol:

562.16166

ΔHf, kcal/mol:

-75.79

Dipole, Da:

7.12

IP(EA), eV:

 -8.78(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-methoxynaphthalen-1-yl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3=C(C(=O)NC(=C3)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)C#N

DOS

IR

Vibrations