Geometry & MOs

Info

ID:	209410
PubChem CID:	80666979
Reduced:	SBr2N2O2C10H12 (1)
Stoich.:	AB2C2D2E10F12 (1)
Weight, g/mol:	299.0321
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	2.97
IP(EA), eV:	-9.91(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(bromomethyl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CN=C2)Br)CBr

DOS

IR

Vibrations