Geometry & MOs

Info

ID:	263264
PubChem CID:	103350545
Reduced:	BrIN2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	63.44
Dipole, Da:	3.05
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)NCC2=CC(=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations