Geometry & MOs

Info

ID:	130389
PubChem CID:	51075797
Reduced:	BrOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	20.8
Dipole, Da:	2.51
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Br)C(=O)C2=C(N(N=C2)C)C

DOS

IR

Vibrations