Geometry & MOs

Info

ID:	61645
PubChem CID:	26711347
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	424.13584
ΔH_f, kcal/mol:	-126.61
Dipole, Da:	7.76
IP(EA), eV:	-8.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxypyridin-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)NC2=CN=C(C=C2)OC)OC

DOS

IR

Vibrations