Geometry & MOs

Info

ID:	333124
PubChem CID:	127251672
Reduced:	FOSN6C22H23 (1)
Stoich.:	ABCD6E22F23 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	23.41
Dipole, Da:	3.57
IP(EA), eV:	-8.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=C(NC4=C3C=C(C=C4)F)C)NC5=NN=CS5

DOS

IR

Vibrations