Geometry & MOs

Info

ID:	315372
PubChem CID:	126625741
Reduced:	ClOF2N5C20H24 (1)
Stoich.:	ABC2D5E20F24 (1)
Weight, g/mol:	534.311853
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	3.62
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(E)-N'-[4-cyclooctyl-5-(4-fluorophenyl)pyrazolidin-3-yl]-N-[(2S)-1-methoxypropan-2-yl]carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N/C(=N\C(CC(C1=CC=C(C=C1)Cl)N)N)/NC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations