Geometry & MOs

Info

ID:	226874
PubChem CID:	87558737
Reduced:	ClN2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	180.925004
ΔH_f, kcal/mol:	4.21
Dipole, Da:	7.89
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=CC(=NN3C(=C2)Cl)C(=O)O

DOS

IR

Vibrations