Geometry & MOs

Info

ID:	294436
PubChem CID:	117460991
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	2.28
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4H-1,3-benzodioxin-7-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OC2CC2)CNOC

DOS

IR

Vibrations