Geometry & MOs

Info

ID:	446066
PubChem CID:	135272114
Reduced:	FON7H26C30 (1)
Stoich.:	ABC7D26E30 (1)
Weight, g/mol:	461.171497
ΔH_f, kcal/mol:	113.89
Dipole, Da:	8.12
IP(EA), eV:	-8.5(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methylphenyl)propylamino]-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCNCC7)NN4)/C=C32

DOS

IR

Vibrations