Geometry & MOs

Info

ID:	415201
PubChem CID:	135088193
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	2.24
IP(EA), eV:	-9.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]thiomorpholine

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@@H]1COC[C@H]1CC2=CC=NC=C2)OC

DOS

IR

Vibrations