Geometry & MOs

Info

ID:	444736
PubChem CID:	135263399
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	530.300539
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	5.37
IP(EA), eV:	-9.67(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCCCC/C(=C\C1=CC=CC=C1)/C=C/C(=O)O

DOS

IR

Vibrations