Geometry & MOs

Info

ID:	148767
PubChem CID:	53788436
Reduced:	Cl2N6O9H22C24 (1)
Stoich.:	A2B6C9D22E24 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	8.51
IP(EA), eV:	-9.44(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-ethoxy-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCC[N+]12C(C(=NOC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)[N+](C1=O)(N2)CCC)C(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations