Geometry & MOs

Info

ID:	177462
PubChem CID:	76188120
Reduced:	ClO3N6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	407.084138
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-6-[2-[6-(trifluoromethyl)pyridin-3-yl]pyridin-4-yl]oxy-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC3C(C2=O)NNC3NC(=O)CCN4CCN(CC4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations