Geometry & MOs

Info

ID:	374270
PubChem CID:	131326022
Reduced:	BrON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	234.019605
ΔH_f, kcal/mol:	14.65
Dipole, Da:	4.28
IP(EA), eV:	-9.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-oxo-2,3-dihydroquinoline-1-carbonyl cyanide

Drug info:

PubChemData

Smile

COC1=C(C=NC(=C1)CCC#N)Br

DOS

IR

Vibrations