Geometry & MOs

Info

ID:	27019
PubChem CID:	811679
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	330.002051
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	7.89
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)COC

DOS

IR

Vibrations