Geometry & MOs

Info

ID:	185509
PubChem CID:	77308621
Reduced:	NO4C27H29 (1)
Stoich.:	AB4C27D29 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	6.44
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-3-(4-phenoxyphenyl)-3,3a,5,6,7,7a-hexahydro-2H-[1,2]oxazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1(COC(=O)N1)C2=CC3=C(C=C2)C=C(C=C3)OC4(CCCCC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations