Geometry & MOs

Info

ID:	435166
PubChem CID:	135182926
Reduced:	ClN8H13C22 (1)
Stoich.:	AB8C13D22 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	216.37
Dipole, Da:	10.12
IP(EA), eV:	-9.17(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-6-(methylamino)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2/C(=C/C=C/3\N=C4C=CC(=CC4=N3)C#N)/NN=C2C5=NC=NC=C5)Cl

DOS

IR

Vibrations