Geometry & MOs

Info

ID:	2673
PubChem CID:	8237
Reduced:	O4C12H15 (2)
Stoich.:	A4B12C15 (2)
Weight, g/mol:	446.194068
ΔH_f, kcal/mol:	-341.66
Dipole, Da:	3.84
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O

DOS

IR

Vibrations