Geometry & MOs

Info

ID:	143213
PubChem CID:	53165416
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	433.208945
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	8.71
IP(EA), eV:	-9.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCN2C(=CC(=N2)C3CCN(CC3)S(=O)(=O)C(C)C)C1=O

DOS

IR

Vibrations