Geometry & MOs

Info

ID:	157818
PubChem CID:	56437462
Reduced:	F2O3N4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	-163.86
Dipole, Da:	6.45
IP(EA), eV:	-9.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CNC(=O)C2=CN(N=C2)C)OC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations