Geometry & MOs

Info

ID:	197491
PubChem CID:	78970336
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	209.062283
ΔH_f, kcal/mol:	13.78
Dipole, Da:	3.65
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-N-prop-2-ynylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC#C)C(=O)C1=CC2=C(O1)C=CC(=C2)C

DOS

IR

Vibrations