Geometry & MOs

Info

ID:	431116
PubChem CID:	135171186
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	2.12
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations