Geometry & MOs

Info

ID:	198042
PubChem CID:	79035937
Reduced:	ClFON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-1.23
Dipole, Da:	3.14
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)NC(=O)C3=C(C(=CC=C3)F)Cl

DOS

IR

Vibrations