Geometry & MOs

Info

ID:	369600
PubChem CID:	127334846
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	8.22
IP(EA), eV:	-8.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentanecarbonyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CC(=O)NCC2CCCN2C3=NN=CC=C3

DOS

IR

Vibrations