Geometry & MOs

Info

ID:	425308
PubChem CID:	135125893
Reduced:	OF3N4H19C26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	444.17731
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	8.83
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-2-methyl-6-(1-methylpyrazol-3-yl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CC4=C(C=C3)N(C=N4)C5CC5

DOS

IR

Vibrations