Geometry & MOs

Info

ID:	431281
PubChem CID:	135171352
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	6.3
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-cyanophenyl)methylamino]cyclohexyl]-N-ethyl-6-fluoro-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations