Geometry & MOs

Info

ID:	193149
PubChem CID:	78349914
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	408.251189
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	5.09
IP(EA), eV:	-8.93(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-7-[2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(C)CC=CC(C)CC(=O)O

DOS

IR

Vibrations