Geometry & MOs

Info

ID:	319409
PubChem CID:	126655886
Reduced:	O4N8C31H44 (1)
Stoich.:	A4B8C31D44 (1)
Weight, g/mol:	345.0688
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	9.0
IP(EA), eV:	-8.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-ethoxypropoxy)-6-methoxy-N'-methylpyridine-2-carboximidamide

Drug info:

PubChemData

Smile

CCN(CC)CCCCN(C1=NC2=NC(=C(C=C2C=N1)NC3=C(C=C(C=C3)OC)OC)NC(=O)NC(C)(C)C)C(=O)C=C

DOS

IR

Vibrations