Geometry & MOs

Info

ID:	14039
PubChem CID:	402059
Reduced:	ON3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	77.45
Dipole, Da:	5.6
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)O

DOS

IR

Vibrations