Geometry & MOs

Info

ID:	145336
PubChem CID:	53502600
Reduced:	FN6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	59.31
Dipole, Da:	3.23
IP(EA), eV:	-8.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations