Geometry & MOs

Info

ID:	178658
PubChem CID:	76363609
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	446.280553
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	4.47
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C=CC(=O)N(CCCN2CCOCC2)CC3=CC=NC=C3

DOS

IR

Vibrations