Geometry & MOs

Info

ID:	198002
PubChem CID:	79029102
Reduced:	O2F3N3C11H14 (1)
Stoich.:	A2B3C3D11E14 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-213.52
Dipole, Da:	2.66
IP(EA), eV:	-10.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CN2C=CC(=N2)C(F)(F)F)CO

DOS

IR

Vibrations