Geometry & MOs

Info

ID:	249310
PubChem CID:	103088480
Reduced:	NOSC11H25 (1)
Stoich.:	ABCD11E25 (1)
Weight, g/mol:	308.99984
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	2.7
IP(EA), eV:	-8.45(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2,4-difluoro-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CCOC(C)(C)CNCCCCSC

DOS

IR

Vibrations