Geometry & MOs

Info

ID:	162231
PubChem CID:	57394002
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	608.189376
ΔH_f, kcal/mol:	78.17
Dipole, Da:	4.29
IP(EA), eV:	-8.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,3-benzodioxol-5-yl-[3-formyl-2,4,6-trihydroxy-5-(3-methylbutanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(N4C3=NC=C4)C5=CC(=O)NC=C5

DOS

IR

Vibrations