Geometry & MOs

Info

ID:	259718
PubChem CID:	103172935
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	292.07693
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	3.02
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=CN=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations