Geometry & MOs

Info

ID:	208218
PubChem CID:	80504535
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	251.14339
ΔH_f, kcal/mol:	-56.89
Dipole, Da:	3.32
IP(EA), eV:	-8.74(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)C(=O)C2CCCC2

DOS

IR

Vibrations