Geometry & MOs

Info

ID:	305528
PubChem CID:	124958407
Reduced:	OSN6C19H24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	52.97
Dipole, Da:	6.02
IP(EA), eV:	-8.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2=CC=CC(=N2)[C@H]3CN(CCO3)CC4=CC=NN4C)C

DOS

IR

Vibrations