Geometry & MOs

Info

ID:	334011
PubChem CID:	127252563
Reduced:	N2O8C23H24 (1)
Stoich.:	A2B8C23D24 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	-248.2
Dipole, Da:	4.69
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-11-(1-methylindazole-3-carbonyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CC5=C(C(=C4)OC)OCCO5

DOS

IR

Vibrations