Geometry & MOs

Info

ID:	294697
PubChem CID:	117483716
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	299.06849
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	4.03
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine

Drug info:

PubChemData

Smile

CC(CN)C1=CC(=C(C(=C1)Br)OC2CC2)OC

DOS

IR

Vibrations