Geometry & MOs

Info

ID:	381478
PubChem CID:	134972232
Reduced:	IOC22H37 (1)
Stoich.:	ABC22D37 (1)
Weight, g/mol:	400.334131
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	3.43
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-4-pentadecylphenyl)-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)I)OC

DOS

IR

Vibrations