Geometry & MOs

Info

ID:	294471
PubChem CID:	117462711
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	285.9953
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	2.82
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)cyclopropyl]-2-bromo-6-nitrophenol

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC(=C(C(=C2)Br)O)O)C(=O)O

DOS

IR

Vibrations