Geometry & MOs

Info

ID:	360371
PubChem CID:	127301016
Reduced:	FON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	5.3
Dipole, Da:	2.72
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiophen-2-yl-1-[2-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations