Geometry & MOs

Info

ID:	332293
PubChem CID:	127250579
Reduced:	O2F3N6C21H21 (1)
Stoich.:	A2B3C6D21E21 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	1.44
IP(EA), eV:	-9.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4)C(F)(F)F

DOS

IR

Vibrations