Geometry & MOs

Info

ID:	333784
PubChem CID:	127252336
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	7.88
Dipole, Da:	3.32
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCOC(C1)C2=CC3=C(N2)N=CC=C3

DOS

IR

Vibrations