Geometry & MOs

Info

ID:	384267
PubChem CID:	134976655
Reduced:	O2P2H30C39 (1)
Stoich.:	A2B2C30D39 (1)
Weight, g/mol:	210.198365
ΔH_f, kcal/mol:	40.52
Dipole, Da:	7.02
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-methyltridec-4-yn-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C=C(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations