Geometry & MOs

Info

ID:	291856
PubChem CID:	113585070
Reduced:	BrOSN3C12H20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	287.085911
ΔH_f, kcal/mol:	-25.53
Dipole, Da:	5.9
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(cyclopropylmethyl)-4-(2-methylsulfanylpropylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C(=C(C=N1)NCC(C)SC)Br

DOS

IR

Vibrations