Geometry & MOs

Info

ID:	11523
PubChem CID:	117231
Reduced:	O5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	362.209324
ΔH_f, kcal/mol:	-225.91
Dipole, Da:	2.71
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-2-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O

DOS

IR

Vibrations