Geometry & MOs

Info

ID:	430913
PubChem CID:	135170983
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	3.54
IP(EA), eV:	-9.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-cyanophenyl)methylamino]cyclohexyl]-N-ethyl-6-fluoro-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations