Geometry & MOs

Info

ID:	139981
PubChem CID:	52626366
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	5.61
IP(EA), eV:	-8.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfonyl-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations