Geometry & MOs

Info

ID:	326578
PubChem CID:	126687818
Reduced:	N2O2F3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	475.233428
ΔH_f, kcal/mol:	-252.75
Dipole, Da:	3.83
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[1-[(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)oxy]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)C(F)(F)F)CN2CCN(CC2)C(=O)OC(C)C

DOS

IR

Vibrations