Geometry & MOs

Info

ID:	29868
PubChem CID:	837848
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	2.01
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(3-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2

DOS

IR

Vibrations