Geometry & MOs

Info

ID:	365345
PubChem CID:	127317744
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	6.54
IP(EA), eV:	-8.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

DOS

IR

Vibrations