Geometry & MOs

Info

ID:	430983
PubChem CID:	135171053
Reduced:	NC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	41.71
Dipole, Da:	1.64
IP(EA), eV:	-9.28(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1,3-benzoxazol-5-ylmethylamino)cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

C=N[C@@H]1CCC2=CC=CC=C12

DOS

IR

Vibrations