Geometry & MOs

Info

ID:	67273
PubChem CID:	46506179
Reduced:	NO4C15H17 (2)
Stoich.:	AB4C15D17 (2)
Weight, g/mol:	617.273715
ΔH_f, kcal/mol:	-247.96
Dipole, Da:	7.85
IP(EA), eV:	-8.42(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations