Geometry & MOs

Info

ID:	411081
PubChem CID:	135083891
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	194.040151
ΔH_f, kcal/mol:	-62.21
Dipole, Da:	3.38
IP(EA), eV:	-9.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-thiophen-3-ylbut-3-ynoate

Drug info:

PubChemData

Smile

CCC1CC/C(=C\C(=O)C2=CC=CC=C2)/O1

DOS

IR

Vibrations