Geometry & MOs

Info

ID:	57163
PubChem CID:	22395415
Reduced:	O3C20H29 (2)
Stoich.:	A3B20C29 (2)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	-269.48
Dipole, Da:	0.45
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[3-(dihydroxymethyl)-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methanediol

Drug info:

PubChemData

Smile

CCCCC(CCCC)(C1=CC(=CC=C1)C(CCCC)(CCCC)C2=C(C=C(C=C2CO)O)CO)C3=C(C=C(C=C3CO)O)CO

DOS

IR

Vibrations