Geometry & MOs

Info

ID:	432295
PubChem CID:	135172428
Reduced:	IN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	301.106256
ΔH_f, kcal/mol:	-58.21
Dipole, Da:	4.28
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,5-dimethyl-1-oxo-3H-cyclohepta[c]pyrrol-2-yl)-3-hydroxy-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(C=CC=C2C(=C1)CN(C2=O)C3=CNC(=O)N(C3=O)O)I

DOS

IR

Vibrations