Geometry & MOs

Info

ID:	350916
PubChem CID:	127279204
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	43.9
Dipole, Da:	4.84
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-5-ethoxy-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=NN=N2)CN3CCCC3C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations