Geometry & MOs

Info

ID:	431159
PubChem CID:	135171229
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	215.95344
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	2.2
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-methylpyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN([C@H]1CCCC(C1)NCC2CCOCC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations