Geometry & MOs

Info

ID:	234548
PubChem CID:	92298664
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	6.56
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aR)-3-amino-4a,9a-dihydroxy-1,2-dihydroindeno[1,2-e][1,2,4]triazin-9-one

Drug info:

PubChemData

Smile

C1CCN/C(=C\2/C(=O)OC(=N2)C3=CC=CC=C3)/[C@@H](C1)Cl

DOS

IR

Vibrations