Geometry & MOs

Info

ID:	333775
PubChem CID:	127252327
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	35.58
Dipole, Da:	2.72
IP(EA), eV:	-8.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

C1COCC(CN1C2=CN=CC=C2)CC3=NC=CN=C3

DOS

IR

Vibrations