Geometry & MOs

Info

ID:	383831
PubChem CID:	134975793
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	248.133002
ΔH_f, kcal/mol:	46.62
Dipole, Da:	4.6
IP(EA), eV:	-9.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-3-methyl-1-(2,4,6-trimethylphenyl)phosphiren-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(CCCCO)N=[N+]=[N-]

DOS

IR

Vibrations