Geometry & MOs

Info

ID:	326568
PubChem CID:	126687796
Reduced:	NF3O4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	285.170434
ΔH_f, kcal/mol:	-274.79
Dipole, Da:	5.14
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)/C=C/1\COC2=C1C=CC(=C2)O[C@@H]3CCC4=C3C=CC(=C4CN5CCCC5)C(F)(F)F

DOS

IR

Vibrations