Geometry & MOs

Info

ID:	196348
PubChem CID:	78814759
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	258.071451
ΔH_f, kcal/mol:	23.19
Dipole, Da:	4.23
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC1=NC(=NC2=CC=CC=C21)C3=CSC=C3

DOS

IR

Vibrations