Geometry & MOs

Info

ID:	329713
PubChem CID:	127246580
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-26.62
Dipole, Da:	5.6
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCC(C2)C3=NC=CC(=N3)C

DOS

IR

Vibrations