Geometry & MOs

Info

ID:	205265
PubChem CID:	80077469
Reduced:	BrN4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	302.097666
ΔH_f, kcal/mol:	87.76
Dipole, Da:	3.91
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=NN(C(=C2C3=CC=CC=C3Br)N)C

DOS

IR

Vibrations