Geometry & MOs

Info

ID:	429358
PubChem CID:	135169381
Reduced:	ClS2O4N5C21H26 (1)
Stoich.:	AB2C4D5E21F26 (1)
Weight, g/mol:	300.126104
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	8.4
IP(EA), eV:	-8.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OCC3=C(C(=NC=C3)N)Cl)SC(=N2)N[C@H]4CCCC[C@@H]4NS(=O)(=O)C

DOS

IR

Vibrations