Geometry & MOs

Info

ID:	130398
PubChem CID:	51075814
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	303.231063
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	5.14
IP(EA), eV:	-9.17(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)C2(CCC2)C3=CC=CC=C3

DOS

IR

Vibrations