Geometry & MOs

Info

ID:	419078
PubChem CID:	135107440
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-69.85
Dipole, Da:	4.92
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC(=NC3=C2CCC3)C4=CC=CC=C4

DOS

IR

Vibrations