Geometry & MOs

Info

ID:	312549
PubChem CID:	126606442
Reduced:	O5C28H32 (1)
Stoich.:	A5B28C32 (1)
Weight, g/mol:	336.172545
ΔH_f, kcal/mol:	-174.16
Dipole, Da:	5.34
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethyl-4-pentylphenyl)-7-hydroxychromen-2-one

Drug info:

PubChemData

Smile

CCCCCC(CC)C1=CC=CC(=C1)C2=CC3=C(C=C(C=C3)OCOC(=O)C(=C)C)OC2=O

DOS

IR

Vibrations