Geometry & MOs

Info

ID:	432294
PubChem CID:	135172427
Reduced:	N2C13H30 (1)
Stoich.:	A2B13C30 (1)
Weight, g/mol:	412.98725
ΔH_f, kcal/mol:	-52.36
Dipole, Da:	0.43
IP(EA), eV:	-8.68(2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC([C@H](C)NC)NCCCC

DOS

IR

Vibrations