Geometry & MOs

Info

ID:	76556
PubChem CID:	48425077
Reduced:	N2O3F4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	405.223926
ΔH_f, kcal/mol:	-319.94
Dipole, Da:	4.87
IP(EA), eV:	-9.06(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCOC2=CC(=CC=C2)F

DOS

IR

Vibrations