Geometry & MOs

Info

ID:	333827
PubChem CID:	127252379
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	35.59
Dipole, Da:	2.19
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC(CN1CC2=CC=CC=N2)CC3=NC=CN=C3

DOS

IR

Vibrations