Geometry & MOs

Info

ID:	221057
PubChem CID:	85256685
Reduced:	O4N5C10H15 (1)
Stoich.:	A4B5C10D15 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-122.2
Dipole, Da:	4.15
IP(EA), eV:	-9.68(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-4-oxo-1,2,3,4a,5,9b-hexahydroindeno[1,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NNC(=O)OC(C)(C)C)C(=O)N

DOS

IR

Vibrations