Geometry & MOs

Info

ID:	314818
PubChem CID:	126623481
Reduced:	O2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	332.01604
ΔH_f, kcal/mol:	2.74
Dipole, Da:	3.62
IP(EA), eV:	-9.78(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)NN=C2C#N

DOS

IR

Vibrations