Geometry & MOs

Info

ID:	280488
PubChem CID:	103849550
Reduced:	BrFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-154.53
Dipole, Da:	4.43
IP(EA), eV:	-10.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]quinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC(=C(C=C2)Br)F)O

DOS

IR

Vibrations