Geometry & MOs

Info

ID:	443654
PubChem CID:	135259672
Reduced:	ClN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-129.23
Dipole, Da:	12.44
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-hex-2-enoate

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)NC(=O)CCCCCCl)C2=CC(=O)OC3=CC=CC=C32

DOS

IR

Vibrations