Geometry & MOs

Info

ID:	176406
PubChem CID:	76045224
Reduced:	ClN3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	352.136115
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	1.96
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=NNC1=CN=C(C=C1)OC)Cl

DOS

IR

Vibrations