Geometry & MOs

Info

ID:	294439
PubChem CID:	117461195
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	2.65
IP(EA), eV:	-8.7(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-aminocyclobutyl)-4-bromo-2-methoxy-3-methylphenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2(CCC2)N)OC)O)Br

DOS

IR

Vibrations