Geometry & MOs

Info

ID:	294149
PubChem CID:	117428184
Reduced:	BrFNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	2.66
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-3-methoxyphenyl)cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C=CC(=C2)F)Br)N=C=O

DOS

IR

Vibrations