Geometry & MOs

Info

ID:	66480
PubChem CID:	46504657
Reduced:	FON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	415.262363
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	2.13
IP(EA), eV:	-7.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=C2)C

DOS

IR

Vibrations