Geometry & MOs

Info

ID:	184556
PubChem CID:	77175146
Reduced:	ClO2N4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	0.73
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazolidine;1,3-xylene

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC(=C3N2NC(=O)NC3)Cl

DOS

IR

Vibrations