Geometry & MOs

Info

ID:	324146
PubChem CID:	126677027
Reduced:	ON4C15H19 (2)
Stoich.:	AB4C15D19 (2)
Weight, g/mol:	540.296122
ΔH_f, kcal/mol:	55.29
Dipole, Da:	4.85
IP(EA), eV:	-8.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)C3=CC4=C(C=C3)C(NN4C)CCN5CCOCC5)N6CCOCC6

DOS

IR

Vibrations