Geometry & MOs

Info

ID:	25726
PubChem CID:	629781
Reduced:	SH18C23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	96.65
Dipole, Da:	1.21
IP(EA), eV:	-8.45(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-6,6-dimethyl-3-pentylbenzo[c]chromene-9-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(C=C(S2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations