Geometry & MOs

Info

ID:	201443
PubChem CID:	79540992
Reduced:	BrFNO2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	5.19
IP(EA), eV:	-9.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylbenzoyl)pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1C(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations