Geometry & MOs

Info

ID:	332357
PubChem CID:	127250643
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	4.67
IP(EA), eV:	-8.17(-0.49)
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]-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

CN(CCC(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=CN=C(C=C3)N)C4=CC=C(C=C4)OC

DOS

IR

Vibrations