Geometry & MOs

Info

ID:	155661
PubChem CID:	56366712
Reduced:	BrFO2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	383.02694
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	7.57
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)quinoline-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=C(C=CC(=C3)Br)NC(=O)C

DOS

IR

Vibrations