Geometry & MOs

Info

ID:	48847
PubChem CID:	11528394
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	160.088815
ΔH_f, kcal/mol:	-187.14
Dipole, Da:	2.87
IP(EA), eV:	-10.56(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-yn-2-yl-2-methoxybenzene

Drug info:

PubChemData

Smile

C1C[C@H](OC(=O)C1)[C@H](CO)O

DOS

IR

Vibrations