Geometry & MOs

Info

ID:	430877
PubChem CID:	135170944
Reduced:	OF2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-59.28
Dipole, Da:	5.68
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)F)C(=O)C3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations