Geometry & MOs

Info

ID:	76456
PubChem CID:	48424949
Reduced:	N2O2F3C20H27 (1)
Stoich.:	A2B2C3D20E27 (1)
Weight, g/mol:	398.181727
ΔH_f, kcal/mol:	-221.65
Dipole, Da:	3.78
IP(EA), eV:	-8.82(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,7-dimethyl-1-benzofuran-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CC2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations