Geometry & MOs

Info

ID:	183139
PubChem CID:	76983312
Reduced:	BrNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	312.07665
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	1.8
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-aminopyridin-4-yl)-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNC(C)(C)C)Br)OCC=CC

DOS

IR

Vibrations