Geometry & MOs

Info

ID:	430915
PubChem CID:	135170985
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-147.68
Dipole, Da:	3.73
IP(EA), eV:	-9.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations