Geometry & MOs

Info

ID:	430917
PubChem CID:	135170987
Reduced:	FON4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	425.222703
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	3.74
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-N-ethyl-6-fluoro-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=NC3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations