Geometry & MOs

Info

ID:	291859
PubChem CID:	113585090
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	46.15
Dipole, Da:	2.46
IP(EA), eV:	-8.49(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(1-methoxy-2-methylpropan-2-yl)amino]-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1CC(C1)NC2=C(C=NN(C2=O)CC#C)Cl

DOS

IR

Vibrations