Geometry & MOs

Info

ID:	294667
PubChem CID:	117480204
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	3.6
IP(EA), eV:	-8.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclobutyl)-4-bromo-6-tert-butylphenol

Drug info:

PubChemData

Smile

C1CC12COC3=C(C=C(C(=C3)CCN)Br)OC2

DOS

IR

Vibrations