Geometry & MOs

Info

ID:	208273
PubChem CID:	80510719
Reduced:	Br2O2N3H7C12 (1)
Stoich.:	A2B2C3D7E12 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	54.57
Dipole, Da:	2.05
IP(EA), eV:	-9.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-morpholin-4-ylpyridazine-4-carbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Br)OC2=C(C=CN=N2)C#N)Br

DOS

IR

Vibrations