Geometry & MOs

Info

ID:	346393
PubChem CID:	127270897
Reduced:	O2N3C18H31 (1)
Stoich.:	A2B3C18D31 (1)
Weight, g/mol:	383.093977
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	3.39
IP(EA), eV:	-8.89(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NCC(=O)NC2CCN3C2CCCC3

DOS

IR

Vibrations