Geometry & MOs

Info

ID:	171432
PubChem CID:	75376771
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	307.146681
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	4.49
IP(EA), eV:	-7.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C(=O)NC2=NC3=CC(=C(C=C3N2)OC)OC)C

DOS

IR

Vibrations