Geometry & MOs

Info

ID:	446067
PubChem CID:	135272133
Reduced:	OF3N3H22C27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	311.043709
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	9.45
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(cyclopropylamino)-2-(trifluoromethyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCCNC2=C(C(=NC3=C2C=C(C=C3)OC4=CC=CC=C4)C(F)(F)F)C#N

DOS

IR

Vibrations