Geometry & MOs

Info

ID:	14685
PubChem CID:	417582
Reduced:	OPC15H24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	251.156477
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962532
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-4-ethyl-1-methylphosphinan-1-ium-4-ol

Drug info:

PubChemData

Smile

CCC1(CC[P+](CC1)(C)CC2=CC=CC=C2)O

DOS

IR

Vibrations