Geometry & MOs

Info

ID:	430876
PubChem CID:	135170943
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	412.207468
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	1.65
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-fluoro-N-[(1S,3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=CC=C4F

DOS

IR

Vibrations