Geometry & MOs

Info

ID:	359890
PubChem CID:	127299934
Reduced:	O3N5C20H37 (1)
Stoich.:	A3B5C20D37 (1)
Weight, g/mol:	371.04154
ΔH_f, kcal/mol:	-137.11
Dipole, Da:	4.23
IP(EA), eV:	-8.68(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methyl]-5-ethoxy-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C(C)N2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations