Geometry & MOs

Info

ID:	395580
PubChem CID:	135025885
Reduced:	NC16H24 (2)
Stoich.:	AB16C24 (2)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	75.76
Dipole, Da:	1.48
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,8aR)-1-ethyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)CN(CC=C)C(C#CC1=CC=C(C=C1)C#CC(C(C)C)N(CC=C)CC(C)C)C(C)C

DOS

IR

Vibrations