Geometry & MOs

Info

ID:	152143
PubChem CID:	56311010
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	7.43
Dipole, Da:	4.02
IP(EA), eV:	-8.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

DOS

IR

Vibrations