Geometry & MOs

Info

ID:	270967
PubChem CID:	103639025
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	340.02113
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	3.26
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)NC2=C(C(=CC=C2)Br)C

DOS

IR

Vibrations