Geometry & MOs

Info

ID:	26773
PubChem CID:	798283
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,8-trimethyl-2-oxochromen-7-yl) propanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

DOS

IR

Vibrations