Geometry & MOs

Info

ID:	375432
PubChem CID:	131529674
Reduced:	BrOS2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	250.01056
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	4.34
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-7-bromo-3,4-dihydro-2H-naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

C1CS(=O)CC2=C1SC=C2Br

DOS

IR

Vibrations