Geometry & MOs

Info

ID:	189404
PubChem CID:	77850674
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	334.126361
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	7.15
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-6-(4-fluorophenyl)sulfanylpyrimidin-4-yl]-3,4-dimethylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CN(CC2CO)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations