Geometry & MOs

Info

ID:	446895
PubChem CID:	135278533
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	489.208865
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	4.25
IP(EA), eV:	-8.82(-0.81)
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-[(3S,5R)-3,5-dimethylpiperazin-1-yl]anilino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1COC(CN1C2=NC(=NC(=C2)N3C4=C(C=C(C(=C4)C5CCNCC5)C)C=N3)OC)CO

DOS

IR

Vibrations