Geometry & MOs

Info

ID:	402888
PubChem CID:	135057714
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	324.09102
ΔH_f, kcal/mol:	10.22
Dipole, Da:	6.79
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)NC(=NC2=O)C3=CC=CC=C3)C

DOS

IR

Vibrations