Geometry & MOs

Info

ID:	175724
PubChem CID:	75941850
Reduced:	BrFNO3C20H21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	369.17625
ΔH_f, kcal/mol:	-115.11
Dipole, Da:	5.31
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2CCCN2C(=O)COC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations