Geometry & MOs

Info

ID:	75318
PubChem CID:	48423323
Reduced:	FN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	4.61
IP(EA), eV:	-8.89(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2F)OCC3CC3

DOS

IR

Vibrations