Geometry & MOs

Info

ID:	180648
PubChem CID:	76664402
Reduced:	O3N4C13H20 (2)
Stoich.:	A3B4C13D20 (2)
Weight, g/mol:	286.988276
ΔH_f, kcal/mol:	-227.62
Dipole, Da:	4.31
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-(methoxymethyl)-3-(trichloromethyl)-3,5,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-one

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)CCCC4CCN(CC4)C(=O)OC5CCN(C5)C)N)O)O

DOS

IR

Vibrations