Geometry & MOs

Info

ID:	279023
PubChem CID:	103840576
Reduced:	ClON2F3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	203.017163
ΔH_f, kcal/mol:	-178.5
Dipole, Da:	4.67
IP(EA), eV:	-9.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorothiophen-2-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CNCC1(C2=C(N=C(C=C2)C(F)(F)F)Cl)O

DOS

IR

Vibrations