Geometry & MOs

Info

ID:	431082
PubChem CID:	135171152
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	1.24
Dipole, Da:	1.82
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(3a,7a-dihydro-1-benzofuran-2-ylmethylamino)cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations