Geometry & MOs

Info

ID:	124791
PubChem CID:	50896089
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	379.129884
ΔH_f, kcal/mol:	79.1
Dipole, Da:	9.36
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)N3C=NN=C3

DOS

IR

Vibrations