Geometry & MOs

Info

ID:	431285
PubChem CID:	135171356
Reduced:	ClO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	8.78
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(C=C3)C=CN(C4=O)C

DOS

IR

Vibrations