Geometry & MOs

Info

ID:	305495
PubChem CID:	124956907
Reduced:	ClN2O4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	-132.77
Dipole, Da:	4.68
IP(EA), eV:	-9.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCCC[C@@H]1C2=NC=C(O2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations