Geometry & MOs

Info

ID:	294390
PubChem CID:	117457383
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	1.84
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)cyclobutyl]-2-bromo-3,5-dimethylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C2CCCCN2)O)Br

DOS

IR

Vibrations