Geometry & MOs

Info

ID:	182447
PubChem CID:	76890966
Reduced:	BrON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	3.81
IP(EA), eV:	-9.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo(cyclohexyl)methylidene]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CC2C(CC1C(C3=CC=CC=C3)Br)NC(=O)N2

DOS

IR

Vibrations