Geometry & MOs

Info

ID:	296686
PubChem CID:	117588601
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	8.4
IP(EA), eV:	-8.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-9-(pyrimidin-2-ylsulfanylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-2,3-dione

Drug info:

PubChemData

Smile

CC1(C=C(C2=C3N1C(=O)C(=O)C3=CC(=C2)OC)CN4CCN(CC4)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations