Geometry & MOs

Info

ID:	417891
PubChem CID:	135103021
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	9.46
Dipole, Da:	6.62
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=CN=C3C#N)O

DOS

IR

Vibrations