Geometry & MOs

Info

ID:	80733
PubChem CID:	49836517
Reduced:	ClN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	8.45
IP(EA), eV:	-8.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-4-phenylmethoxyiminobutyl] benzoate

Drug info:

PubChemData

Smile

CCO/C(=C\1/C(=NN(C1=O)C2=CC=CC=C2Cl)CC(=O)OC)/C

DOS

IR

Vibrations