Geometry & MOs

Info

ID:	289699
PubChem CID:	104368494
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	9.08
IP(EA), eV:	-9.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxypyrazin-2-yl)azepan-4-ol

Drug info:

PubChemData

Smile

COC1=CN=C(C(=N1)OC)C(C2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations