Geometry & MOs

Info

ID:	405762
PubChem CID:	135075315
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	2.43
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxochromen-7-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1C(C)NC(=O)C2=CC=CC=N2

DOS

IR

Vibrations