Geometry & MOs

Info

ID:	433138
PubChem CID:	135173275
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	298.152872
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	5.72
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,6S,8aR)-6-(methoxycarbonylamino)-7-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1CC3=CC(=O)C(=CO3)OC/C(=C/NN)/N

DOS

IR

Vibrations