Geometry & MOs

Info

ID:	315397
PubChem CID:	126625852
Reduced:	NOC3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	543.277631
ΔH_f, kcal/mol:	-62.49
Dipole, Da:	2.15
IP(EA), eV:	-9.41(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N'-[5-(4-chlorophenyl)-5-cyclooctylpyrazolidin-3-yl]-N-[(2S)-1-methoxypropan-2-yl]carbamimidoyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C(NC)O

DOS

IR

Vibrations