Geometry & MOs

Info

ID:	294241
PubChem CID:	117439516
Reduced:	BrO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	273.9953
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	2.8
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminopropan-2-yl)-2-bromo-6-nitrophenol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1CCO)OCO2)Br

DOS

IR

Vibrations