Geometry & MOs

Info

ID:	333826
PubChem CID:	127252378
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	18.19
Dipole, Da:	2.25
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(pyrazin-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

C1COCC(CN1CCC2=CC=CC=C2)CC3=NC=CC=N3

DOS

IR

Vibrations