Geometry & MOs

Info

ID:	285062
PubChem CID:	104094498
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	198.071451
ΔH_f, kcal/mol:	62.43
Dipole, Da:	3.85
IP(EA), eV:	-8.75(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pent-4-ynylthiolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=NN(C=N1)CCCC#C

DOS

IR

Vibrations