Geometry & MOs

Info

ID:	182615
PubChem CID:	76914834
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	6.46
IP(EA), eV:	-8.69(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]thiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CNN1)C(=O)N(C)CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations