Geometry & MOs

Info

ID:	291890
PubChem CID:	113585178
Reduced:	BrN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	301.04259
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	6.95
IP(EA), eV:	-9.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1(CCOC1)NC2=C(C(=O)N(N=C2)CCO)Br

DOS

IR

Vibrations