Geometry & MOs

Info

ID:	216766
PubChem CID:	85086743
Reduced:	O2C5H8 (3)
Stoich.:	A2B5C8 (3)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-275.86
Dipole, Da:	7.88
IP(EA), eV:	-10.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyphenyl)-4-methyl-6-(oxan-2-yloxy)hex-4-en-2-yn-1-one

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OCC(C(C1=CC(=O)OC1)O)O

DOS

IR

Vibrations