Geometry & MOs

Info

ID:	249698
PubChem CID:	103091425
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	20.07
Dipole, Da:	4.81
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(7-bromo-1,3-benzodioxol-5-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C=C1)OC)C#N)N

DOS

IR

Vibrations