Geometry & MOs

Info

ID:	283751
PubChem CID:	104003942
Reduced:	BrINOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	408.91744
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	3.71
IP(EA), eV:	-9.63(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-iodophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1CCC1)NC(=O)C2=C(C=CC(=C2)I)Br

DOS

IR

Vibrations