Geometry & MOs

Info

ID:	431039
PubChem CID:	135171109
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	460.208611
ΔH_f, kcal/mol:	0.93
Dipole, Da:	4.02
IP(EA), eV:	-9.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[[4-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)F)C(=O)C3=NC4=C(N3)C=C(C=C4)C#N

DOS

IR

Vibrations