Geometry & MOs

Info

ID:	329791
PubChem CID:	127246658
Reduced:	FON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	5.07
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CC(=C(C=C3)F)OC)C

DOS

IR

Vibrations