Geometry & MOs

Info

ID:	182448
PubChem CID:	76890967
Reduced:	BrON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	330.00039
ΔH_f, kcal/mol:	20.95
Dipole, Da:	7.2
IP(EA), eV:	-9.14(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(3-methoxyphenyl)methylidene]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=C2C=CC3=NC(=O)NC3=C2)Br

DOS

IR

Vibrations