Geometry & MOs

Info

ID:	399729
PubChem CID:	135042106
Reduced:	BrPO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-226.86
Dipole, Da:	5.38
IP(EA), eV:	-9.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-4-phenyl-3,6-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CC1(COP(=O)(O[C@H]1C2=CC=C(C=C2)Br)O)C

DOS

IR

Vibrations