Geometry & MOs

Info

ID:	176172
PubChem CID:	76003319
Reduced:	NO4H25C27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	379.179696
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	5.91
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,6-dipyridin-2-ylpyrimidin-4-yl)ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CCCCC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations