Geometry & MOs

Info

ID:	395778
PubChem CID:	135026504
Reduced:	N3O6H15C19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	317.101171
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	10.2
IP(EA), eV:	-9.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-ethyl-1,9-dihydroxy-10-nitro-12,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,10-tetraen-8-one

Drug info:

PubChemData

Smile

C1CN2C(=C(C(=O)C2(C3=CC=CC=C3C(=O)O)O)[N+](=O)[O-])N1C4=CC=CC=C4

DOS

IR

Vibrations