Geometry & MOs

Info

ID:	270524
PubChem CID:	103637010
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-41.79
Dipole, Da:	2.83
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1NCC3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations