Geometry & MOs

Info

ID:	332980
PubChem CID:	127251404
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	5.32
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=NN=C(O3)C(C)C)C4=CN=CN=C4

DOS

IR

Vibrations