Geometry & MOs

Info

ID:	202245
PubChem CID:	79646177
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	227.113313
ΔH_f, kcal/mol:	-31.65
Dipole, Da:	5.21
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CNC1(CCC(C1)N2C=CN=C2C3=CC=CS3)C(=O)OC

DOS

IR

Vibrations