Geometry & MOs

Info

ID:	75701
PubChem CID:	48423871
Reduced:	ClFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	284.173607
ΔH_f, kcal/mol:	-111.0
Dipole, Da:	5.88
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)F)OCC2CC2

DOS

IR

Vibrations