Geometry & MOs

Info

ID:	16385
PubChem CID:	466364
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	54.05
Dipole, Da:	6.5
IP(EA), eV:	-8.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]-1-pyrazin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC(=O)C2=NC=CN=C2

DOS

IR

Vibrations