Geometry & MOs

Info

ID:	29515
PubChem CID:	834637
Reduced:	ClNOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	307.00303
ΔH_f, kcal/mol:	0.44
Dipole, Da:	2.93
IP(EA), eV:	-8.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-methylsulfanylphenyl)methyl]aniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NCC2=CC=C(C=C2)SC)Cl

DOS

IR

Vibrations