Geometry & MOs

Info

ID:	17780
PubChem CID:	518858
Reduced:	O2C31H48 (1)
Stoich.:	A2B31C48 (1)
Weight, g/mol:	452.365431
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	3.37
IP(EA), eV:	-8.17(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-5-methyl-3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-methyl-6-(2,4,4-trimethylpentan-2-yl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)CC(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)CC(C)(C)C)O

DOS

IR

Vibrations