Geometry & MOs

Info

ID:	441342
PubChem CID:	135234221
Reduced:	S2O4N6C35H48 (1)
Stoich.:	A2B4C6D35E48 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	9.05
IP(EA), eV:	-8.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C=N/N=C(/[C@H]1CCCC(C1)CSCNC(=O)CC2=CC(=CC=C2)N3CCOCC3)\SCNC(=O)CC4=CC(=CC=C4)N5CCOCC5

DOS

IR

Vibrations