Geometry & MOs

Info

ID:	333834
PubChem CID:	127252386
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	2.98
IP(EA), eV:	-9.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazin-2-yl-[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

C1COCC(CN1C(=O)C2=CC=NC=C2)CC3=NC=CN=C3

DOS

IR

Vibrations