Geometry & MOs

Info

ID:	294443
PubChem CID:	117461308
Reduced:	BrFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	285.05284
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	1.81
IP(EA), eV:	-9.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)C2(CCCN2)C)C)Br

DOS

IR

Vibrations