Geometry & MOs

Info

ID:	431243
PubChem CID:	135171314
Reduced:	OF2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	5.24
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(N3)C=CC(=C4)F

DOS

IR

Vibrations