Geometry & MOs

Info

ID:	317399
PubChem CID:	126637243
Reduced:	ClON5H18C23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	92.6
Dipole, Da:	6.95
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-3-(2-oxo-3-phenylchromen-7-yl)oxypropyl] 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NC3=C(C=CC(=C3)N4C=CC5=C4N=CN=C5Cl)C=C2

DOS

IR

Vibrations