Geometry & MOs

Info

ID:	35676
PubChem CID:	7980184
Reduced:	NCl2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	340.094688
ΔH_f, kcal/mol:	-137.25
Dipole, Da:	1.2
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations