Geometry & MOs

Info

ID:	329809
PubChem CID:	127246676
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	16.42
Dipole, Da:	4.47
IP(EA), eV:	-7.94(-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]-3-(2-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CC4=C(N3)C=CC(=C4)OC)C

DOS

IR

Vibrations