Geometry & MOs

Info

ID:	126096
PubChem CID:	50951360
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	-103.15
Dipole, Da:	5.51
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,4-diazepan-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C)CNC(=O)COC2=CC=CC(=C2)NC(=O)CC

DOS

IR

Vibrations