Geometry & MOs

Info

ID:	351468
PubChem CID:	127280356
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-34.84
Dipole, Da:	5.95
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN=CC4=CC=CC=C43

DOS

IR

Vibrations