Geometry & MOs

Info

ID:	426810
PubChem CID:	135153999
Reduced:	O3N8C21H26 (1)
Stoich.:	A3B8C21D26 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	15.62
Dipole, Da:	9.2
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethenyl-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCCN4C=CN=N4

DOS

IR

Vibrations