Geometry & MOs

Info

ID:	294499
PubChem CID:	117464648
Reduced:	BrNO4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	287.01571
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	4.41
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C(C=C2)Br)CC(C(=O)O)N

DOS

IR

Vibrations