Geometry & MOs

Info

ID:	144749
PubChem CID:	53407396
Reduced:	ClN2O4H7C11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	198.055991
ΔH_f, kcal/mol:	5.33
Dipole, Da:	7.46
IP(EA), eV:	-10.66(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-3a,7a-dihydro-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=NOC2=O)CCl)[N+](=O)[O-]

DOS

IR

Vibrations