Geometry & MOs

Info

ID:	294909
PubChem CID:	117504662
Reduced:	BrNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	319.0064
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	3.73
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(C=CC2=C1)Br)CC3CCCN3

DOS

IR

Vibrations