Geometry & MOs

Info

ID:	182365
PubChem CID:	76881148
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	3.45
Dipole, Da:	11.5
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(dicyclopropylmethylamino)ethylidene]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=C2C(=NC(=NC2=O)C)C)C

DOS

IR

Vibrations