Geometry & MOs

Info

ID:	159783
PubChem CID:	57288745
Reduced:	NC14H29 (1)
Stoich.:	AB14C29 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-56.95
Dipole, Da:	1.57
IP(EA), eV:	-8.45(2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-hydroxy-2-propylphenoxy)butyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)CCCCN1CCC(CC1)(C)C

DOS

IR

Vibrations