Geometry & MOs

Info

ID:	418502
PubChem CID:	135105342
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	338.221895
ΔH_f, kcal/mol:	-161.33
Dipole, Da:	7.4
IP(EA), eV:	-9.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations