Geometry & MOs

Info

ID:	186816
PubChem CID:	77490217
Reduced:	O2N5C7H11 (1)
Stoich.:	A2B5C7D11 (1)
Weight, g/mol:	465.181016
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	5.18
IP(EA), eV:	-10.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-thiazolidin-3-yl-[4-[4-[4-(trifluoromethyl)isoquinolin-1-yl]piperazin-1-yl]pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)O)C2=NNN=N2

DOS

IR

Vibrations