Geometry & MOs

Info

ID:	181669
PubChem CID:	76773545
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	450.123401
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	5.79
IP(EA), eV:	-8.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-[2-[(3-chlorophenoxy)methyl]phenyl]-3-oxobut-1-enyl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C2C=NN(C2=C(C=C1)CC(=O)C=CC3=CC(=C(C=C3)OC)O)C

DOS

IR

Vibrations