Geometry & MOs

Info

ID:	431041
PubChem CID:	135171111
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	24.06
Dipole, Da:	9.07
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CON=C2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations