Geometry & MOs

Info

ID:	329783
PubChem CID:	127246650
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-0.92
Dipole, Da:	6.0
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC(=CS3)C)C

DOS

IR

Vibrations