Geometry & MOs

Info

ID:	305768
PubChem CID:	124968745
Reduced:	ON3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	297.151098
ΔH_f, kcal/mol:	41.31
Dipole, Da:	4.17
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2=NC=C(C=C2)C(=O)N3CCC[C@@H](C3)C4=NC=CN=C4C5=NC=CN5

DOS

IR

Vibrations