Geometry & MOs

Info

ID:	448454
PubChem CID:	135291063
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-170.46
Dipole, Da:	2.03
IP(EA), eV:	-9.95(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-ethynyl-2-phenyloxan-4-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCO[C@H](C1)C)OC(=O)C

DOS

IR

Vibrations