Geometry & MOs

Info

ID:	293479
PubChem CID:	117391443
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-55.99
Dipole, Da:	3.54
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC3=C(C=CC=N3)C=C2)C(=O)O

DOS

IR

Vibrations