Geometry & MOs

Info

ID:	28348
PubChem CID:	827134
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	4.56
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(2-methoxyphenoxy)-3-phenylpropyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3CO

DOS

IR

Vibrations