Geometry & MOs

Info

ID:	11791
PubChem CID:	121044
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-26.4
Dipole, Da:	2.71
IP(EA), eV:	-8.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=CC=CC=C4Cl

DOS

IR

Vibrations