Geometry & MOs

Info

ID:	71771
PubChem CID:	48415359
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	36.74
Dipole, Da:	6.09
IP(EA), eV:	-8.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations