Geometry & MOs

Info

ID:	17478
PubChem CID:	500473
Reduced:	ClOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	244.065493
ΔH_f, kcal/mol:	-9.74
Dipole, Da:	3.29
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-phenyl-3,4-dihydro-2H-chromene

Drug info:

PubChemData

Smile

C1C(COC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations