Geometry & MOs

Info

ID:	358388
PubChem CID:	127295933
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	349.118416
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	5.22
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=NN(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations