Geometry & MOs

Info

ID:	385026
PubChem CID:	134978168
Reduced:	O2C15H23 (2)
Stoich.:	A2B15C23 (2)
Weight, g/mol:	490.141394
ΔH_f, kcal/mol:	-218.96
Dipole, Da:	1.72
IP(EA), eV:	-10.21(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CCC[C@@H]1CC[C@H](C[C@H]1OC(=O)/C=C\2/[C@H]3C[C@@H]([C@H]2C(=O)O[C@@H]4C[C@@H](CC[C@H]4CCC)C)C=C3)C

DOS

IR

Vibrations