Geometry & MOs

Info

ID:	206890
PubChem CID:	80320069
Reduced:	NOSC12H21 (1)
Stoich.:	ABCD12E21 (1)
Weight, g/mol:	297.187484
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	2.34
IP(EA), eV:	-9.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C(C)C)C(C)O)C

DOS

IR

Vibrations