Geometry & MOs

Info

ID:	395780
PubChem CID:	135026515
Reduced:	F3N4O5H13C20 (1)
Stoich.:	A3B4C5D13E20 (1)
Weight, g/mol:	365.101171
ΔH_f, kcal/mol:	-185.53
Dipole, Da:	4.51
IP(EA), eV:	-10.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dihydroxy-15-nitro-13-phenyl-10,13-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,14-tetraen-8-one

Drug info:

PubChemData

Smile

C1CN2C(=C(C3(C2=O)C4=CC=CC=C4C(=O)O3)[N+](=O)[O-])N1CC5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations