Geometry & MOs

Info

ID:	31018
PubChem CID:	854104
Reduced:	ClO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	320.141245
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	3.13
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one

Drug info:

PubChemData

Smile

CC(=CCOC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)C

DOS

IR

Vibrations