Geometry & MOs

Info

ID:	74536
PubChem CID:	48422036
Reduced:	F3N3O3C17H22 (1)
Stoich.:	A3B3C3D17E22 (1)
Weight, g/mol:	294.155512
ΔH_f, kcal/mol:	-272.72
Dipole, Da:	2.72
IP(EA), eV:	-9.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations