Geometry & MOs

Info

ID:	339284
PubChem CID:	127261075
Reduced:	BrN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-26.81
Dipole, Da:	5.15
IP(EA), eV:	-9.33(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] propan-2-yl carbonate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)OC/C(=N/OC(=O)CCBr)/N)N=CC=C2

DOS

IR

Vibrations