Geometry & MOs

Info

ID:	75317
PubChem CID:	48423322
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	320.190006
ΔH_f, kcal/mol:	-131.56
Dipole, Da:	5.08
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations