Geometry & MOs

Info

ID:	315357
PubChem CID:	126625689
Reduced:	ClO2F4N6H15C20 (1)
Stoich.:	AB2C4D6E15F20 (1)
Weight, g/mol:	538.379538
ΔH_f, kcal/mol:	-173.77
Dipole, Da:	1.88
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-tert-butyl-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-1-cyclodecyl-2-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=NN1)NC(=NC(=O)C2=CC=C(C=C2)C(F)(F)F)NC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations