Geometry & MOs

Info

ID:	169260
PubChem CID:	75081037
Reduced:	O7C39H56 (1)
Stoich.:	A7B39C56 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-290.18
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CC(CC=CC=CC=C(C)CC1=CC(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)CC=C4C(CC(CC4(C)O)OC(=O)C)(C)C

DOS

IR

Vibrations