Geometry & MOs

Info

ID:	291867
PubChem CID:	113585110
Reduced:	ClOSN3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	317.01975
ΔH_f, kcal/mol:	-4.91
Dipole, Da:	1.3
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CSC)NC1=C(C=NN(C1=O)CC2CC2)Cl

DOS

IR

Vibrations