Geometry & MOs

Info

ID:	180563
PubChem CID:	76654217
Reduced:	F4N7H21C26 (1)
Stoich.:	A4B7C21D26 (1)
Weight, g/mol:	538.280472
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	2.97
IP(EA), eV:	-8.76(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[6-[[[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]hydrazinylidene]methyl]pyridin-3-yl]amino]phenyl]phenol

Drug info:

PubChemData

Smile

C1CC1CC2=CC(=CN=C2)C3=NC(=NC=C3F)NN=CC4=NC=C(C=C4)NC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations