Geometry & MOs

Info

ID:	294805
PubChem CID:	117497047
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	5.55
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)CCC(=O)O)Br

DOS

IR

Vibrations