Geometry & MOs

Info

ID:	329232
PubChem CID:	126732824
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-68.02
Dipole, Da:	6.76
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[7-(2,2-dimethylpropyl)-9H-carbazol-2-yl]oxy]propyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C=C1NC(=O)C=CN1CCCO

DOS

IR

Vibrations