Geometry & MOs

Info

ID:	45867
PubChem CID:	10518352
Reduced:	ClFO2H10C17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-53.31
Dipole, Da:	5.76
IP(EA), eV:	-9.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-chloro-3a,7a-dihydro-2H-benzimidazole-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=O)C=C(O2)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations