Geometry & MOs

Info

ID:	430714
PubChem CID:	135170781
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-21.0
Dipole, Da:	3.7
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N=C(C(C)C)NO)C(=O)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations