Geometry & MOs

Info

ID:	193463
PubChem CID:	78397916
Reduced:	FSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	393.15896
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	3.59
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(benzimidazol-2-ylidene)-4-phenylpyrazolidin-3-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(NC2C1C(=O)NC(N2)SC)C3=CC=C(C=C3)F

DOS

IR

Vibrations