Geometry & MOs

Info

ID:	243337
PubChem CID:	99218636
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-208.27
Dipole, Da:	3.78
IP(EA), eV:	-9.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations