Geometry & MOs

Info

ID:	345739
PubChem CID:	127270039
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	361.216555
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	4.64
IP(EA), eV:	-9.15(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cycloheptanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCN(CC1)C(=O)C2CCCCCC2

DOS

IR

Vibrations