Geometry & MOs

Info

ID:	76436
PubChem CID:	48424923
Reduced:	F3N3O4C15H24 (1)
Stoich.:	A3B3C4D15E24 (1)
Weight, g/mol:	400.197377
ΔH_f, kcal/mol:	-334.44
Dipole, Da:	4.5
IP(EA), eV:	-8.93(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethoxy)phenyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCN2CCOC2=O

DOS

IR

Vibrations