Geometry & MOs

Info

ID:	443634
PubChem CID:	135259610
Reduced:	O5H16C22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	6.97
IP(EA), eV:	-9.35(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C3=CC(=O)OC4=CC=CC=C43

DOS

IR

Vibrations