Geometry & MOs

Info

ID:	332948
PubChem CID:	127251372
Reduced:	SO2N6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	3.13
Dipole, Da:	3.8
IP(EA), eV:	-9.17(-0.66)
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-(dimethylamino)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=CSC(=N3)C)C4=CN=C(N=C4)N

DOS

IR

Vibrations