Geometry & MOs

Info

ID:	270522
PubChem CID:	103636997
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	4.67
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(CNCC1=C(C=CC(=C1)Br)O)N2CCOCC2

DOS

IR

Vibrations