Geometry & MOs

Info

ID:	299082
PubChem CID:	117670619
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	529.257671
ΔH_f, kcal/mol:	-201.23
Dipole, Da:	3.74
IP(EA), eV:	-8.72(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-[(3,4,5-trimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(C)C(=O)C2=C(C(=C(C=C2)O)OC(C)C)OC(C)C

DOS

IR

Vibrations