Geometry & MOs

Info

ID:	311964
PubChem CID:	126599496
Reduced:	O5N8C23H30 (1)
Stoich.:	A5B8C23D30 (1)
Weight, g/mol:	375.05824
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	3.98
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-6-methoxypyridin-2-yl)-6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine

Drug info:

PubChemData

Smile

COC(=O)NCC(=O)N1CCC[C@H]1C2=NC=C(N2)C#C/C=C/N=C([C@@H]3CCCN3C(=O)CNC=O)N

DOS

IR

Vibrations