Geometry & MOs

Info

ID:	189144
PubChem CID:	77823629
Reduced:	BrOSN3C26H44 (1)
Stoich.:	ABCD3E26F44 (1)
Weight, g/mol:	554.229598
ΔH_f, kcal/mol:	-40.48
Dipole, Da:	1.53
IP(EA), eV:	-8.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[4-[[4-(2-acetylphenyl)-2-hydroxybutyl]amino]piperidin-1-yl]-2-oxoethoxy]-3-chlorophenyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCCCN(CC(=CC)CCCC(NCC(C)C)O)C1=NC(=CS1)C(CC=C)C=CCBr

DOS

IR

Vibrations