Geometry & MOs

Info

ID:	134611
PubChem CID:	51725581
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	250.155552
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	5.16
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CCCNC(=O)C2=CC=NC=C2

DOS

IR

Vibrations