Geometry & MOs

Info

ID:	202688
PubChem CID:	79710018
Reduced:	BrFNC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	266.160186
ΔH_f, kcal/mol:	-7.75
Dipole, Da:	1.86
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NCC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations