Geometry & MOs

Info

ID:	412568
PubChem CID:	135085465
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	192.060886
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	2.4
IP(EA), eV:	-9.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-methyl-2-(2-methylsulfanylethynyl)benzene

Drug info:

PubChemData

Smile

CC=CC(C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations