Geometry & MOs

Info

ID:	324145
PubChem CID:	126677025
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	542.311772
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	1.91
IP(EA), eV:	-8.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=C/N(C1CC(C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3)N)/N)O

DOS

IR

Vibrations