Geometry & MOs

Info

ID:	139680
PubChem CID:	52579709
Reduced:	N2O3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	323.17644
ΔH_f, kcal/mol:	-100.62
Dipole, Da:	7.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770553
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)C[NH+](CC(C)C)CN1C2=C(C=CC(=C2)OC)C(=O)C1=O

DOS

IR

Vibrations