Geometry & MOs

Info

ID:	446908
PubChem CID:	135278718
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	502.260486
ΔH_f, kcal/mol:	76.41
Dipole, Da:	5.79
IP(EA), eV:	-8.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1Z,3E)-4-(4-ethylpiperazin-1-yl)-1-(methylideneamino)penta-1,3-dienyl]amino]-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(N=CC(=C3)CN)OC4=CC=CC(=C4)CN

DOS

IR

Vibrations