Geometry & MOs

Info

ID:	294542
PubChem CID:	117468427
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	289.04775
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	3.08
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)Br)C2CCNC2)F

DOS

IR

Vibrations