Geometry & MOs

Info

ID:	71764
PubChem CID:	48415349
Reduced:	BrO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	403.08954
ΔH_f, kcal/mol:	-6.79
Dipole, Da:	7.32
IP(EA), eV:	-9.01(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-4-(4-but-3-ynylpiperazine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations