Geometry & MOs

Info

ID:	37070
PubChem CID:	8016502
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-167.05
Dipole, Da:	3.15
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-8-(3-methylbut-2-enoxy)chromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC4=CN=CC=C4)(C)C

DOS

IR

Vibrations