Geometry & MOs

Info

ID:	332725
PubChem CID:	127251035
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	2.87
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CC(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations