Geometry & MOs

Info

ID:	305561
PubChem CID:	124960137
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-2.67
Dipole, Da:	6.59
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=CN=C2[C@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations