Geometry & MOs

Info

ID:	446898
PubChem CID:	135278561
Reduced:	OF5N7H22C26 (1)
Stoich.:	AB5C7D22E26 (1)
Weight, g/mol:	489.208865
ΔH_f, kcal/mol:	-151.24
Dipole, Da:	3.67
IP(EA), eV:	-8.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]anilino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC(=C2N1)F)OC3=NC=NC(=C3C#N)NC4=CC=C(C=C4)N5CCN(CC5)CC(F)(F)F)F

DOS

IR

Vibrations