Geometry & MOs

Info

ID:	312594
PubChem CID:	126606721
Reduced:	OH22C26 (1)
Stoich.:	AB22C26 (1)
Weight, g/mol:	687.283523
ΔH_f, kcal/mol:	54.64
Dipole, Da:	1.51
IP(EA), eV:	-9.11(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[(Z)-3-amino-1-(4-dimethylphosphorylanilino)-4,4-dimethylpent-2-enylidene]-3-[4-[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations