Geometry & MOs

Info

ID:	31020
PubChem CID:	854108
Reduced:	O4H16C21 (1)
Stoich.:	A4B16C21 (1)
Weight, g/mol:	294.125594
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	5.19
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(3-methylbut-2-enoxy)benzo[c]chromen-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations