Geometry & MOs

Info

ID:	290481
PubChem CID:	104624488
Reduced:	BrSN2O3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	4.5
IP(EA), eV:	-9.88(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-(1-hydroxybutan-2-yl)-6-methylpyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCOC)CNS(=O)(=O)C1=CC(=CN=C1)Br

DOS

IR

Vibrations