Geometry & MOs

Info

ID:	57167
PubChem CID:	22395421
Reduced:	O3C14H17 (2)
Stoich.:	A3B14C17 (2)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-221.43
Dipole, Da:	4.05
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[[4-hydroxy-2,6-bis(hydroxymethyl)phenyl]methyl]phenyl]methyl]-3,5-bis(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations