Geometry & MOs

Info

ID:	405846
PubChem CID:	135075612
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	172.101702
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	1.72
IP(EA), eV:	-9.55(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-2,3,6,7-tetrahydro-1lambda5-phosphepine 1-oxide

Drug info:

PubChemData

Smile

CC1COC(C[C@H]1CO)C2=CC=CC=C2

DOS

IR

Vibrations