Geometry & MOs

Info

ID:	291629
PubChem CID:	113453433
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	307.99828
ΔH_f, kcal/mol:	-124.76
Dipole, Da:	5.14
IP(EA), eV:	-9.79(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-2-yl)methylsulfanyl]-6-methylaniline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(NC1=O)C2=C(OC=C2)C

DOS

IR

Vibrations