Geometry & MOs

Info

ID:	134024
PubChem CID:	51626970
Reduced:	O2N4C21H33 (1)
Stoich.:	A2B4C21D33 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761953
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)[C@H](C)C(=O)N3CCCC3

DOS

IR

Vibrations