Geometry & MOs

Info

ID:	75783
PubChem CID:	48423975
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	4.64
IP(EA), eV:	-8.66(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations