Geometry & MOs

Info

ID:	171387
PubChem CID:	75371093
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	28.67
Dipole, Da:	6.28
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(6-ethylpyrimidin-4-yl)amino]methyl]phenyl]-(2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN(C)C2=NC=C(C=C2)C(=O)NCC=C

DOS

IR

Vibrations