Geometry & MOs

Info

ID:	25601
PubChem CID:	627049
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	2.9
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[(2,3-dihydroxyphenyl)methylideneamino]benzoate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CC)C3=CC=CC=C3

DOS

IR

Vibrations