Geometry & MOs

Info

ID:	274074
PubChem CID:	103806878
Reduced:	BrOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-15.71
Dipole, Da:	3.81
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)pentan-3-yl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)NC(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations