Geometry & MOs

Info

ID:	133406
PubChem CID:	51522176
Reduced:	ClN3O3H16C21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	412.15086
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	6.34
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2Z)-2-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)N/N=C\C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations