Geometry & MOs

Info

ID:	333785
PubChem CID:	127252337
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	2.02
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CN1CCOCC(C1)CC2=NC=CN=C2

DOS

IR

Vibrations