Geometry & MOs

Info

ID:	430764
PubChem CID:	135170831
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	460.208611
ΔH_f, kcal/mol:	25.22
Dipole, Da:	3.46
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC2=NN=C(S2)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations