Geometry & MOs

Info

ID:	202697
PubChem CID:	79710504
Reduced:	BFNO3C12H19 (1)
Stoich.:	ABCD3E12F19 (1)
Weight, g/mol:	344.12634
ΔH_f, kcal/mol:	-228.44
Dipole, Da:	3.04
IP(EA), eV:	-9.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-bromo-5-fluorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CN(C)C(C)COC)(O)O

DOS

IR

Vibrations