Geometry & MOs

Info

ID:	152629
PubChem CID:	56311625
Reduced:	ClN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-142.17
Dipole, Da:	1.78
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CC(=CC4=C3OCOC4)Cl

DOS

IR

Vibrations