Geometry & MOs

Info

ID:	332191
PubChem CID:	127250477
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	6.64
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-3-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations