Geometry & MOs

Info

ID:	333776
PubChem CID:	127252328
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	33.66
Dipole, Da:	4.31
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-ylmethyl)-6-[(5-methylpyridin-2-yl)methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

C1COCC(CN1CC2=NC=CN2)CC3=NC=CN=C3

DOS

IR

Vibrations