Geometry & MOs

Info

ID:	28410
PubChem CID:	827431
Reduced:	ClON5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	26.17
Dipole, Da:	3.34
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)N)N

DOS

IR

Vibrations