Geometry & MOs

Info

ID:	331716
PubChem CID:	127249799
Reduced:	ON2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	408.171002
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	4.43
IP(EA), eV:	-8.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpyrimidin-5-yl)-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=CN(C(=O)C=C4)C

DOS

IR

Vibrations