Geometry & MOs

Info

ID:	71762
PubChem CID:	48415343
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-85.62
Dipole, Da:	3.8
IP(EA), eV:	-8.04(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CCC#C)OC

DOS

IR

Vibrations