Geometry & MOs

Info

ID:	424137
PubChem CID:	135121459
Reduced:	N2C8O9H10 (1)
Stoich.:	A2B8C9D10 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-372.7
Dipole, Da:	4.88
IP(EA), eV:	-11.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(1-acetylbenzimidazol-2-yl)iminopentanal

Drug info:

PubChemData

Smile

C(C(=O)N)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)N

DOS

IR

Vibrations