Geometry & MOs

Info

ID:	128159
PubChem CID:	51033144
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	3.7
IP(EA), eV:	-8.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12S)-6-methoxy-12-methyl-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-11,15-dione

Drug info:

PubChemData

Smile

C[C@@]12C3=CC=CC=C3C(=O)N1C[C@@H]4C5=CC(=C(C=C5CCN4C2=O)OC)OC

DOS

IR

Vibrations