Geometry & MOs

Info

ID:	209891
PubChem CID:	80736100
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	5.91
IP(EA), eV:	-8.32(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-5-propoxyphenyl)-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)NC(C)CS(=O)(=O)C)N

DOS

IR

Vibrations