Geometry & MOs

Info

ID:	279733
PubChem CID:	103844863
Reduced:	BrFNSO2C13H13 (1)
Stoich.:	ABCDE2F13G13 (1)
Weight, g/mol:	293.09827
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	4.07
IP(EA), eV:	-9.91(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-fluorophenyl)methyl]-2-(2-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C#CCN(CC1CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations