Geometry & MOs

Info

ID:	344539
PubChem CID:	127268123
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	4.01
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC3=NC(=NO3)C4CC4

DOS

IR

Vibrations