Geometry & MOs

Info

ID:	326510
PubChem CID:	126687695
Reduced:	O5C36H50 (1)
Stoich.:	A5B36C50 (1)
Weight, g/mol:	313.165349
ΔH_f, kcal/mol:	-188.86
Dipole, Da:	3.75
IP(EA), eV:	-8.44(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1C(C)C)CC)CC(C)C2=C(C=CC(=C2OC)CC(C)C3=CC(=C(C(=C3)OC)OC)OC)OC

DOS

IR

Vibrations