Geometry & MOs

Info

ID:	45752
PubChem CID:	10517292
Reduced:	O6H10C15 (1)
Stoich.:	A6B10C15 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	5.25
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl [(1R,5S)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] carbonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)O

DOS

IR

Vibrations