Geometry & MOs

Info

ID:	335122
PubChem CID:	127253983
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	461.169919
ΔH_f, kcal/mol:	-170.79
Dipole, Da:	3.42
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-(7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=NC=C1)C2=C(C=CC3=C2O/C(=C\N4CCOCC4)/C3=O)O

DOS

IR

Vibrations