Geometry & MOs

Info

ID:	174936
PubChem CID:	75835389
Reduced:	BrO2F3N3C12H13 (1)
Stoich.:	AB2C3D3E12F13 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-210.76
Dipole, Da:	5.45
IP(EA), eV:	-9.23(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(1-phenylcyclobutyl)-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C(=O)NC2=CC(=CC=C2)OC(F)(F)F)Br

DOS

IR

Vibrations