Geometry & MOs

Info

ID:	430861
PubChem CID:	135170928
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-31.36
Dipole, Da:	2.73
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)F)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations