Geometry & MOs

Info

ID:	132421
PubChem CID:	51360922
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	50.52
Dipole, Da:	8.52
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,7aS)-5-benzyl-6-(4-imidazol-1-ylphenyl)-1-methyl-3,3a,4,6,7,7a-hexahydro-[1,2]oxazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC3=C(C=C2)N4C(=CN=N4)CN(C3)C(=O)CCC5=CC=CC=C5

DOS

IR

Vibrations