Geometry & MOs

Info

ID:	205580
PubChem CID:	80123412
Reduced:	BrClNOF2H9C15 (1)
Stoich.:	ABCDE2F9G15 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	1.64
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethylphenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(C3=C(C=C(C=C3F)Br)F)Cl)NC1=O

DOS

IR

Vibrations