Geometry & MOs

Info

ID:	201440
PubChem CID:	79540989
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	263.132157
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	4.6
IP(EA), eV:	-9.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-fluoro-5-methylbenzoyl)pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1C(=O)C2=CC=CO2

DOS

IR

Vibrations