Geometry & MOs

Info

ID:	220998
PubChem CID:	85248167
Reduced:	NO4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	257.091275
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	3.47
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(O1)C(=O)OC)C3C=CC=CC3=NC2=O

DOS

IR

Vibrations