Geometry & MOs

Info

ID:	307110
PubChem CID:	125267661
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	1.51
Dipole, Da:	5.96
IP(EA), eV:	-7.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,9R)-4-(2-methoxyethyl)-2-methyl-9-(4-methylphenyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene-3,6-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(NN1C)C)NC(=O)C2=NNC3=C2CCCCC3

DOS

IR

Vibrations