Geometry & MOs

Info

ID:	179870
PubChem CID:	76548128
Reduced:	ClN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	97.101725
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	3.66
IP(EA), eV:	-8.99(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1OC2C(=O)C=C(N=N2)Cl

DOS

IR

Vibrations