Geometry & MOs

Info

ID:	435859
PubChem CID:	135192591
Reduced:	INC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	323.250378
ΔH_f, kcal/mol:	59.22
Dipole, Da:	2.36
IP(EA), eV:	-8.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-2-[4-(2,2,5,5-tetramethylhexan-3-yl)phosphinin-1-ium-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=CC(=C2/C=C\C(C)(C=NC)I)C

DOS

IR

Vibrations