Geometry & MOs

Info

ID:	209478
PubChem CID:	80677963
Reduced:	BrINOSC10H11 (1)
Stoich.:	ABCDEF10G11 (1)
Weight, g/mol:	317.02268
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	4.94
IP(EA), eV:	-9.59(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CSC(=C2)I)CBr

DOS

IR

Vibrations