Geometry & MOs

Info

ID:	267751
PubChem CID:	103588217
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	5.44
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-cycloheptyloxyaniline

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)COC2=CC(=CC(=C2)N)Br

DOS

IR

Vibrations