Geometry & MOs

Info

ID:	333824
PubChem CID:	127252376
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	26.96
Dipole, Da:	1.38
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC(CN1CC2=CC=CC=C2)CC3=NC=CN=C3

DOS

IR

Vibrations