Geometry & MOs

Info

ID:	399924
PubChem CID:	135043863
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	186.06808
ΔH_f, kcal/mol:	8.95
Dipole, Da:	2.44
IP(EA), eV:	-9.56(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-[(1R)-1-hydroxyprop-2-ynyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1CC2=CCN3C[C@]34[C@@H]2[C@@H]1OC4

DOS

IR

Vibrations