Geometry & MOs

Info

ID:	148131
PubChem CID:	53787793
Reduced:	OCl2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	366.110338
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	1.91
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-oxo-7-(3-phenoxypropoxy)chromen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(C)C(=CCl)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations