Geometry & MOs

Info

ID:	79988
PubChem CID:	49832014
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	274.081622
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	4.11
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-diphenylprop-1-ynyl)thiophene

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5OC)C(=O)N1C6CCCCC6

DOS

IR

Vibrations