Geometry & MOs

Info

ID:	443631
PubChem CID:	135259607
Reduced:	ClO4H13C20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	387.08735
ΔH_f, kcal/mol:	-76.51
Dipole, Da:	3.86
IP(EA), eV:	-9.19(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 3-chloropropanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations