Geometry & MOs

Info

ID:	256022
PubChem CID:	103136415
Reduced:	BrON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	52.86
Dipole, Da:	3.62
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CNC(C1=CC=CC2=C1C=NC=C2)C3=CC=C(O3)Br

DOS

IR

Vibrations