Geometry & MOs

Info

ID:	48981
PubChem CID:	11528575
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-126.45
Dipole, Da:	4.22
IP(EA), eV:	-10.13(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-propylbenzene-1,3-diol

Drug info:

PubChemData

Smile

CC1=C[C@H]2CC(=O)C[C@@]1(O2)CCC(=O)C

DOS

IR

Vibrations