Geometry & MOs

Info

ID:	294876
PubChem CID:	117501786
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	3.58
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CCCC2)CNO)Br

DOS

IR

Vibrations