Geometry & MOs

Info

ID:	245412
PubChem CID:	99444463
Reduced:	BrFON4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	420.04848
ΔH_f, kcal/mol:	29.53
Dipole, Da:	4.07
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3

DOS

IR

Vibrations