Geometry & MOs

Info

ID:	224252
PubChem CID:	85340802
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-128.96
Dipole, Da:	2.02
IP(EA), eV:	-9.26(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-hydroxypropyl)hex-4-yn-1-one

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CCC1C(=CC2)C(=O)N(C)C

DOS

IR

Vibrations