Geometry & MOs

Info

ID:	430760
PubChem CID:	135170827
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	3.22
IP(EA), eV:	-7.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\N(C)/C=C(\C)/CNC1CCCC(C1)NC(=O)C2=NC/C(=C\C)/N2

DOS

IR

Vibrations