Geometry & MOs

Info

ID:	349827
PubChem CID:	127276219
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-125.07
Dipole, Da:	8.01
IP(EA), eV:	-8.65(0.13)
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-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations