Geometry & MOs

Info

ID:	202691
PubChem CID:	79710054
Reduced:	BFNO2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	337.01474
ΔH_f, kcal/mol:	-197.12
Dipole, Da:	4.28
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations