Geometry & MOs

Info

ID:	395824
PubChem CID:	135026649
Reduced:	O6C15H16 (2)
Stoich.:	A6B15C16 (2)
Weight, g/mol:	303.085521
ΔH_f, kcal/mol:	-463.99
Dipole, Da:	4.38
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dihydroxy-8-nitro-2,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraen-16-one

Drug info:

PubChemData

Smile

CC(=O)OC1C[C@@H]([C@]2(C(C1OC(=O)C)OC(=O)C)OCC[C@@H](O2)C(=O)C3=CC=C(C=C3)OC)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations