Geometry & MOs

Info

ID:	164551
PubChem CID:	74415249
Reduced:	NO3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	379.195643
ΔH_f, kcal/mol:	-148.72
Dipole, Da:	9.84
IP(EA), eV:	-8.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl-[(4-phenyl-1,3-thiazol-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

COC1CCC2C(C1)OC=C(C2=O)OC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

DOS

IR

Vibrations