Geometry & MOs

Info

ID:	75283
PubChem CID:	48423276
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	306.174356
ΔH_f, kcal/mol:	-126.95
Dipole, Da:	3.13
IP(EA), eV:	-8.44(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations