Geometry & MOs

Info

ID:	425528
PubChem CID:	135126632
Reduced:	N3O7C24H27 (1)
Stoich.:	A3B7C24D27 (1)
Weight, g/mol:	234.95119
ΔH_f, kcal/mol:	-184.22
Dipole, Da:	1.71
IP(EA), eV:	-9.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromopyridine-4-carboximidamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H]([C@@](O[C@@H]1OC(=O)C)(CN=[N+]=[N-])COCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations