Geometry & MOs

Info

ID:	205612
PubChem CID:	80126310
Reduced:	BrF2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	4.74
IP(EA), eV:	-9.4(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfanyl]-N'-hydroxyethanimidamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CC2=C(C(=CC=C2)F)F)Br

DOS

IR

Vibrations