Geometry & MOs

Info

ID:	333835
PubChem CID:	127252387
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	8.83
Dipole, Da:	3.77
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C1COCC(CN1C(=O)C2=NC=CN=C2)CC3=NC=CN=C3

DOS

IR

Vibrations