Geometry & MOs

Info

ID:	275876
PubChem CID:	103818583
Reduced:	F2N2O4C15H22 (1)
Stoich.:	A2B2C4D15E22 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-281.18
Dipole, Da:	5.48
IP(EA), eV:	-8.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC1=C(C=CC(=C1)OC)OC(F)F

DOS

IR

Vibrations