Geometry & MOs

Info

ID:	180567
PubChem CID:	76654221
Reduced:	F4N7H21C25 (1)
Stoich.:	A4B7C21D25 (1)
Weight, g/mol:	493.234999
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	1.24
IP(EA), eV:	-8.8(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridin-3-yl]amino]-5-(5-methylpyrazolidin-1-yl)phenol

Drug info:

PubChemData

Smile

CC(C)C1=CN=CC(=C1)C2=NC(=NC=C2F)NN=CC3=NC=C(C=C3)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations