Geometry & MOs

Info

ID:	344604
PubChem CID:	127268188
Reduced:	FN6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	370.21689
ΔH_f, kcal/mol:	79.31
Dipole, Da:	7.86
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CN3CCN(CC3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations