Geometry & MOs

Info

ID:	270526
PubChem CID:	103637018
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	298.06808
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	3.81
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2-pyrrolidin-1-ylethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCCNC(=O)CNCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations