Geometry & MOs

Info

ID:	293840
PubChem CID:	117404605
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-132.64
Dipole, Da:	2.56
IP(EA), eV:	-8.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-chromen-8-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C=C(O3)C)C(=C2O1)O)C(C)(C)O

DOS

IR

Vibrations