Geometry & MOs

Info

ID:	274034
PubChem CID:	103806605
Reduced:	BrFON3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	358.05421
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	4.01
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-3-methylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCN1CCNCC1)C(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations