Geometry & MOs

Info

ID:	291868
PubChem CID:	113585111
Reduced:	BrOSN3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	319.0354
ΔH_f, kcal/mol:	8.38
Dipole, Da:	3.77
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(CSC)NC1=C(C(=O)N(N=C1)CC=C)Br

DOS

IR

Vibrations