Geometry & MOs

Info

ID:	430766
PubChem CID:	135170833
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	460.208611
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	2.84
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1)CCCO2

DOS

IR

Vibrations