Geometry & MOs

Info

ID:	269961
PubChem CID:	103621296
Reduced:	BrN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	318.007516
ΔH_f, kcal/mol:	-63.97
Dipole, Da:	3.28
IP(EA), eV:	-8.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-chloroquinoxalin-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNCC1=CC2=C(C(=C1)Br)OCCO2

DOS

IR

Vibrations