Geometry & MOs

Info

ID:	326512
PubChem CID:	126687698
Reduced:	O4N5C11H17 (1)
Stoich.:	A4B5C11D17 (1)
Weight, g/mol:	269.139134
ΔH_f, kcal/mol:	-140.66
Dipole, Da:	2.46
IP(EA), eV:	-9.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]([C@H]1CN=C2C(N1)C(=O)N=C(N2)NC(=O)C)O)O

DOS

IR

Vibrations