Geometry & MOs

Info

ID:	326579
PubChem CID:	126687819
Reduced:	NF3O3C27H32 (1)
Stoich.:	AB3C3D27E32 (1)
Weight, g/mol:	370.186813
ΔH_f, kcal/mol:	-267.91
Dipole, Da:	3.63
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1COC2=C1C=CC(=C2)OC3CCC4=C3C=CC(=C4CN5CCC(CC5)CO)C(F)(F)F

DOS

IR

Vibrations