Geometry & MOs

Info

ID:	48022
PubChem CID:	10536629
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	23.36
Dipole, Da:	4.85
IP(EA), eV:	-8.68(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S)-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations