Geometry & MOs

Info

ID:	402827
PubChem CID:	135057435
Reduced:	N2O2F3H19C26 (1)
Stoich.:	A2B2C3D19E26 (1)
Weight, g/mol:	424.178693
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	1.37
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyphenyl)-3-oxopropyl]-6-methyl-N-quinolin-8-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCC2=C(C(=CC=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations