Geometry & MOs

Info

ID:	296842
PubChem CID:	117596153
Reduced:	ClNO6C25H36 (1)
Stoich.:	ABC6D25E36 (1)
Weight, g/mol:	502.162768
ΔH_f, kcal/mol:	-268.57
Dipole, Da:	4.81
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl) acetate;2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl benzoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2.CC(=O)OC1=CC=C(C=C1)O.Cl

DOS

IR

Vibrations