Geometry & MOs

Info

ID:	311551
PubChem CID:	126593795
Reduced:	FO3N4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	387.138305
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	5.12
IP(EA), eV:	-9.57(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-fluorophenyl)-2,5,7-trimethylquinolin-6-yl]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=CN=C(N=C3)C(=O)O)C)C(=CC(=N2)C(=O)NC)C4=CC=CC=C4F

DOS

IR

Vibrations