Geometry & MOs

Info

ID:	284664
PubChem CID:	104058452
Reduced:	BrClO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	3.32
IP(EA), eV:	-9.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-pyran-5-yl(phenyl)methanamine

Drug info:

PubChemData

Smile

C1CC(=COC1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations