Geometry & MOs

Info

ID:	146143
PubChem CID:	53643479
Reduced:	BrNOSC6H14 (1)
Stoich.:	ABCDE6F14 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	3.64
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-6-[(2-nitrophenyl)methyl]-1,3,5-triazine

Drug info:

PubChemData

Smile

CCCCNS(=O)CCBr

DOS

IR

Vibrations