Geometry & MOs

Info

ID:	210600
PubChem CID:	80828988
Reduced:	BrN4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	320.061093
ΔH_f, kcal/mol:	6.29
Dipole, Da:	3.55
IP(EA), eV:	-8.76(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-N-propylpyrazine-2,6-diamine

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC2=NC(=NC=C2Br)N

DOS

IR

Vibrations