Geometry & MOs

Info

ID:	351476
PubChem CID:	127280364
Reduced:	FO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	6.64
IP(EA), eV:	-9.26(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC(=CC4=NC=CN=C34)F

DOS

IR

Vibrations