Geometry & MOs

Info

ID:	415504
PubChem CID:	135088500
Reduced:	NS2O5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-205.86
Dipole, Da:	3.91
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-ethyl-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)S(=O)(=O)C2=CC(=CS2)C)C(=O)O

DOS

IR

Vibrations