Geometry & MOs

Info

ID:	39854
PubChem CID:	8142577
Reduced:	Cl2N2O2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	429.215138
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	3.61
IP(EA), eV:	-8.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=C(C(=C4)Cl)N)Cl

DOS

IR

Vibrations