Geometry & MOs

Info

ID:	311552
PubChem CID:	126593796
Reduced:	FO2N3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	501.24277
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	7.26
IP(EA), eV:	-9.33(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenyl)-N,5,7-trimethyl-6-[4-(morpholine-4-carbonyl)cyclohexen-1-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=C2C(=C1C3=CN=C(N=C3)C(=O)O)C)C4=CC=CC=C4F)C

DOS

IR

Vibrations