Geometry & MOs

Info

ID:	66048
PubChem CID:	46488317
Reduced:	BrN3O3H14C19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-4.64
Dipole, Da:	1.04
IP(EA), eV:	-9.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(N=CC=C2)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations