Geometry & MOs

Info

ID:	291808
PubChem CID:	113584862
Reduced:	BrN3O3C10H16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	315.09462
ΔH_f, kcal/mol:	-103.39
Dipole, Da:	4.25
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-5-(4-methylhexan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NC(CO)CO)Br

DOS

IR

Vibrations