Geometry & MOs

Info

ID:	177172
PubChem CID:	76143484
Reduced:	F5N5O6C20H20 (1)
Stoich.:	A5B5C6D20E20 (1)
Weight, g/mol:	499.167868
ΔH_f, kcal/mol:	-355.89
Dipole, Da:	12.33
IP(EA), eV:	-9.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-5-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC(=C(C(=C2)F)OC(F)(F)F)F)CC(=O)NC3CCOC4=NC(=CN34)[N+](=O)[O-]

DOS

IR

Vibrations