Geometry & MOs

Info

ID:	337409
PubChem CID:	127257094
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	260.087101
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	2.12
IP(EA), eV:	-9.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)ethyl thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CC(C)N)COC(=O)C1=CSC=C1

DOS

IR

Vibrations